N – Page 13 – BDMAEE

n,n’-methylenebisacrylamide n,n’-methylene-bis(acrylamide)

Published by BDMAEE on 2024-01-18 | Permalink

structural formula

business number	030w
molecular formula	c7h10n2o2
molecular weight	154.17
label	n,n-methylenebisacrylamide, n,n-methylenebisacrylamide, methylene bisacrylamide, n,n’-methylenebis(2-acrylamide), n,n’-methylenebisacrylamide, genetic engineering research reagents

numbering system

cas number:110-26-9

mdl number:mfcd00008625

einecs number:203-750-9

rtecs number:as3678000

brn number:none

pubchem number:24848761

physical property data

1. appearance: white or light yellow powdery crystal

2. density (g/ml, 20℃): 1.235

3. relative vapor density (g/ml , air=1): 5.31

4. melting point (ºc): >300

5. boiling point (ºc, normal pressure): undetermined

6 . boiling point (ºc, kpa): not determined

7. refractive index: undetermined

8. flash point (ºc): 221

9. ratio optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 25ºc): undetermined

p>

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc ): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: soluble it is soluble in water and also soluble in organic solvents such as ethanol and acetone.

toxicological data

1. acute toxicity: rat oral ld5o: 390mg/kg

rat inhalation lc: >41ppm/6h

mouse oral ld5o: 380mg/kg

mouse inhalation lc: >41ppm/6h

guinea pig inhalation lc: >41ppm/6h

2. other multi-dose data: mouse oral tdlo: 3206mg/kg/8w-i

3. reproductive toxicity: oral tdlo to male mice before mating: 3208mg/kg, duration 16 days

oral to female mice after fertilization tdlo: 360mg/kg, duration 6-17 days

oral tdlo before mating in male mice: 50mg/kg, duration 1 day

intraperitoneal tdlo in male mice before mating : 225mg/kg, duration 1 day

4. mutagenicity: salmonella mutation: 1mg/plate

drosophila sex chromosome deletion and non-disjunction: 600ppm

mouse dominant lethal test: 225mg/kg

mouse heritable translocation test: 450mg/kg/5d

ecological data

this substance is harmful to water bodies. do not let this product come into contact with groundwater, waterways and sewage treatment systems.

molecular structure data

1. molar refractive index: 41.71

2. molar volume (cm³/mol): 146.1

3. isotonic specific volume (90.2k ): 354.6

4. surface tension (dyne/cm): 34.7

5. polarizability (10^-24cm³): 16.32

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.1

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: 3

6. topological molecule polar surface area 58.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 167

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. it does not decompose under normal temperature and pressure. avoid contact with oxides, light, acids, reducing agents, alkali and heat. may polymerize after exposure to light.

2.this product has certain toxicity and may cause irritation to eyes, skin and mucous membranes. operators should wear protective equipment to avoid direct contact with the human body.
　

storage method

1. store in a cool, dry place. keep away from sources of fire and ensure good ventilation in the workspace. store in a dark place and never store with oxidizing and acidic substances. store away from oxidants, strong alkali, heat and direct sunlight.

2. this product is packed in plastic barrels lined with plastic bags, 10kg per barrel. store in a cool and dry place. keep away from light and heat. store and transport according to regulations on toxic substances.

synthesis method

purpose

it can be used as a water-blocking agent in oil field drilling operations and building grouting operations, and can also be used as a cross-linking agent in the synthesis of acrylic resins and adhesives. it is used as an important material for separating amino acids and an important raw material for photosensitive nylon or photosensitive plastics. it is used as raw material for photosensitive nylon and photosensitive plastics, building grouting materials, and also used in photography, printing, plate making, etc.

it is used as a water-blocking grouting material; it can also be used as a cross-linking agent. it also has important applications in photosensitive materials, water-absorbing materials, optical cable coatings, biotechnology, etc.

n,n’-dicarbamoylhydrazine n,n’-dicarbamoylhydrazine

Published by BDMAEE on 2024-01-18 | Permalink

structural formula

business number	030u
molecular formula	c2h6n4o2
molecular weight	118.09
label	1,2-hydrazinedicarboxamide, diurea, hydrazodiformamide, 1,1’-hydrazobis-formamid, 1,2-bis(aminocarbonyl)-hydrazin, 1,2-hydrazinedicarboxamine, foaming agent

numbering system

cas number:110-21-4

mdl number:mfcd00025398

einecs number:203-747-2

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. characteristics: powder

2. density (g/ml,20℃): undetermined

3. relative vapor density (g/ ml,air =1): undetermined

4. melting point (ºc): 239-241

5. boiling point (ºc,normal pressure):undetermined span>

6. boiling point (ºc,kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,25ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient for water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

1, acute toxicity: rat oral ld5o: >2gm/kg

ecological data

this substance is slightly harmful to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 25.63

2. molar volume (m³/mol）：80.7

3. isotonic specific volume (90.2k):235.8

4. surface tension (dyne/cm):72.6

5. polarizability（10^-24cm³):10.16

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -2.1

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 6

6. topological molecule polar surface area 110

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 96.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

does not decompose under normal temperature and pressure. avoid contact with oxides.

storage method

store in a cool, dry place. keep away from sources of fire and ensure good ventilation in the workspace. store away from oxidizing agents.

synthesis method

none yet

purpose

uses: used in the production of adc foaming agent.

>3. isotonic specific volume (90.2k):235.8

4. surface tension (dyne/cm):72.6

5. polarizability（10^-24cm³):10.16

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -2.1

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 6

6. topological molecule polar surface area 110

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 96.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

does not decompose under normal temperature and pressure. avoid contact with oxides.

storage method

store in a cool, dry place. keep away from sources of fire and ensure good ventilation in the workspace. store away from oxidizing agents.

synthesis method

none yet

purpose

uses: used in the production of adc foaming agent.

tetramethylethylenediamine n,n,n’,n’-tetramethylethylenediamine

Published by BDMAEE on 2024-01-18 | Permalink

structural formula

business number	030r
molecular formula	c6h16n2
molecular weight	116.21
label	tetramethylethylenediamine, tetramethylethylenediamine, 1,2-bis(dimethylamino), 1,2-bis(dimethylamino)ethane, tetramethyl-1,2-ethylenediamine, n,n,n’,n’-methylethylenediamine, 1,2-bis(dimethylamino)ethane, linear compound

numbering system

cas number:110-18-9

mdl number:mfcd00008335

einecs number:203-744-6

rtecs number:kv7175000

brn number:1732991

pubchem number:24900591

physical property data

1. characteristics: colorless transparent liquid with slight ammonia smell. ^[1]

2. melting point (℃): -55^[2]

3. boiling point (℃): 120~122^[3]

4. relative density (water=1): 0.77 (20℃)^[4]

5. relative vapor density (air=1): 4.0^[5]

6. octanol/water partition coefficient: 0.3^[6]

7. flash point (℃): 10^[7]

8. ignition temperature (℃): 349^[8]

9. explosion upper limit (%): 9.08^[9]

10. explosion lower limit (%): 0.98^{[ 10]}

11. solubility: miscible with water, miscible with ethanol and most organic solvents. ^[11]

toxicological data

1. irritation: rabbit skin open irritation test: 10mg/24h; rabbit eye standard drez eye dye test: 750ug severe irritation

2. acute toxicity: rat oral ld50: 268mg/kg; rat inhalation lc50: 1318ppm/4h; mouse oral ld50: 630mg/kg; rabbit skin ld50: 5390mg/kg; rabbit subcutaneous ld50: 1230mg/kg; quail oral ld50: >316mg/kg;

3. other multiple dose toxicity: rat inhalation tclo: 250ppm/6h/11d-i;

4. acute toxicity^[12]

ld50: 268mg/kg (rat oral); 5390mg/kg (rabbit transdermal)

lc50: 1318ppm (rat inhalation, 4h)

p>

5. irritation^[13]

rabbit transdermal: 10mg (24h), causing irritation (open stimulation test ).

rabbit eye: 750μg, severe irritation.

ecological data

1. ecotoxicity no data available

2. biodegradability no data available

3 .non-biodegradability no information yet

4. other harmful effects ^[14] this substance is harmful to the environment and should be treated with special pay attention to water pollution.

molecular structure data

1. molar refractive index: 37.28

2. molar volume (cm³/mol): 142.0

3. isotonic specific volume (90.2k ): 322.2

4. surface tension (dyne/cm): 26.4

5. polarization�� (10^-24cm³): 14.78

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 6.5

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 42.5

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. stability^[15] stable

2. incompatible substances^[16] strong oxidants, strong acids

3. conditions to avoid contact^[17] heat

4 .polymerization hazard^[18] no polymerization

5. decomposition products^[19] amine p>

storage method

storage precautions^[20] store in a cool, ventilated warehouse. keep away from fire and heat sources. the storage temperature should not exceed 37°c. keep container tightly sealed. they should be stored separately from oxidants and acids, and avoid mixed storage. use explosion-proof lighting and ventilation facilities. it is prohibited to use mechanical equipment and tools that are prone to sparks. the storage area should be equipped with emergency release equipment and suitable containment materials.

synthesis method

put 4060 ml of 90% formic acid in a 12-liter three-neck round-bottomed flask equipped with a condenser, stirrer and dropping funnel. slowly add 1040 grams (17.3 mol) of ethylene glycol from the dropping funnel while stirring. amine, then quickly add 5960 ml of 37% formaldehyde solution. uniform evolution of carbon dioxide from the solution indicates that the reaction is in progress. when the initial phase of rapid bubble evolution subsides, heat to reflux for 48 hours. while still boiling, carefully treat the reaction mixture with 1.0 liters of concentrated sulfuric acid to salt the amine. evaporate excess formaldehyde, formic acid and water. after collecting 5600 ml of distillate, the residue begins to foam, add a new 50% aqueous solution of 900 g of sodium hydroxide, and approximately 1 liter of amine product will be evaporated. treatment of the residue with concentrated aqueous potassium hydroxide solution salts out more of the amine. combine the obtained amines, dry them with granular potassium hydroxide, and distill them together with sodium to obtain n,n,n’n’-tetramethylethylenediamine.

purpose

used as biochemical reagents, epoxy resin cross-linking agents, and intermediates for the preparation of quaternary ammonium compounds. ^[21]

n,n-diethyl-1-naphthylamine n,n-diethyl-1-naphthylamine

Published by BDMAEE on 2024-01-16 | Permalink

structural formula

business number	01va
molecular formula	c14h17n
molecular weight	199.29
label	n,n-diethyl-α-naphthylamine, n,n’-diethyl-1-naphthalenamine

numbering system

cas number:84-95-7

mdl number:mfcd00046389

einecs number:201-576-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: light yellow fluorescent oily liquid turns yellow-brown after being left for a long time

2. density (g/ml ,25/4℃):1.015

3. relative vapor density (g /ml,air= 1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):285～290℃

6. boiling point (ºc,5.2 kpa): undetermined

7. refractive index:1.5961

8. flash point (ºc): undetermined

9. specific optical rotation (º ): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined):194.5

3. isotonic specific volume (90.2k):492.7

4. surface tension (dyne/cm):41.1

5. polarizability（10^-24cm³):26.82

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 3.2

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 186

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

light yellow with fluorescence oily liquid. it turns yellow-brown after being stored for a long time. soluble in ethanol, ether and benzene, insoluble in water. relative density1.015. boiling point285～290℃. refractive index1.5961. poisonous.

storage method

this product should be sealed in store in a cool and dry place.

synthesis method

none yet

purpose

for organic synthesis. prepare the dye.

style=”font-size: 9pt; font-family: arial; mso-font-kerning: 0pt”>1.5961. poisonous.

storage method

this product should be sealed in store in a cool and dry place.

synthesis method

none yet

purpose

for organic synthesis. prepare the dye.

ethylene glycol(β-aminoethylether)-n,n,n,n-tetraacetic acid

Published by BDMAEE on 2024-01-16 | Permalink

structural formula

business number	01el
molecular formula	c14h24n2o10
molecular weight	380.35
label	glycol ether diamine tetraacetic acid, ethylene-bis(oxyethylenenitrilo)tetraacetic acid

numbering system

cas number:67-42-5

mdl number:mfcd00004291

einecs number:200-651-2

rtecs number:ah3760000

brn number:1717370

pubchem number:24894367

physical property data

1. character: white crystal sex powder.

2. density (g/ml,25/4 ℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 241℃ (decomposition)

5. boiling point (ºc,normal pressure): not ok

6. boiling point (ºc,5.2kpa): not ok

7. refractive index: not ok

8. flashpoint (ºc): undetermined

9. specific optical rotation ( º): undetermined

10. spontaneous ignition point or ignition combustion temperature (ºc) : undetermined

11. vapor pressure (kpa,25ºc): not ok

12. saturation vapor pressure ( kpa,60ºc): undetermined18. lower explosion limit (%,v/v): undetermined

19. solubility: soluble in alkaline solution, almost insoluble in water.

toxicological data

acute toxicity: rat oral ld50: 3587 mg/kg; mouse abdominal cavity ld50 : 150 mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index:84.10

2. molar volume (m³/mol）：265.3

3. isotonic specific volume (90.2k):767.0

4. surface tension (dyne/cm):69.8

5. polarizability（10^-24cm³):33.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -6.2

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 12

4. number of rotatable chemical bonds: 17

5. number of tautomers: none

6. topological molecular polar surface area 174

7. number of heavy atoms: 26

8. surface charge: 0

9. complexity: 397

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed .

synthesis method

none yet

purpose

volume analysis and photometric analysis complexing agent and masking agent for the determination of trace metals. complexometric titration analyzes calcium and can also titrate barium, strontium, copper, magnesium and zinc.

mily: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>isotoconic ratio (90.2k):767.0

4. surface tension (dyne/cm):69.8

5. polarizability（10^-24cm³):33.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -6.2

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 12

4. number of rotatable chemical bonds: 17

5. number of tautomers: none

6. topological molecular polar surface area 174

7. number of heavy atoms: 26

8. surface charge: 0

9. complexity: 397

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed .

synthesis method

none yet

purpose

volume analysis and photometric analysis complexing agent and masking agent for the determination of trace metals. complexometric titration analyzes calcium and can also titrate barium, strontium, copper, magnesium and zinc.

n,n-di-n-butyl-1,3-propylenediamine n,n-di-n-butyl-1,3-propylenediamine

Published by BDMAEE on 2024-01-16 | Permalink

structural formula

business number	02mk
molecular formula	c11h26n2
molecular weight	186.34
label	3-(dibutylamino)propylamine, 3-(dibutylamino)propylamine

numbering system

cas number:102-83-0

mdl number:mfcd00008219

einecs number:203-059-2

rtecs number:tx7175000

brn number:635829

pubchem number:24893885

physical property data

1. properties: colorless liquid.

2. density (g/ml, 25℃): 0.827

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): – 50

5. boiling point (ºc, normal pressure): 205

6. boiling point (ºc, mmhg): undetermined

7. refractive index: 1.4463

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, 55ºc ): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) distribution coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

1. skin/eye irritation: start irritation test: rabbit skin contact, 100μg/24h; 2. acute toxicity: rat oral ld50: 820mg/kg; rabbit skin contact ld50: 270μl/kg;

ecological data

none yet

molecular structure data

1. molar refractive index: 60.26

2. molar volume (cm³/mol): 221.0

3. isotonic specific volume (90.2k ): 524.5

4. surface tension (dyne/cm): 31.7

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 23.89

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 9

5. number of tautomers: none

6. topological molecule polar surface area 29.3

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 86.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters�:0

12. uncertain number of stereocenters of atoms: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain chemical bonds number of stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

dry n-(3-bromopropyl)phthalimide reacts with dibutylamine at 140-150℃ for 10h to generate n-(3-dibutylaminopropyl)phthalimide imine. then react with hydrochloric acid to obtain 3-(dibutylamino)propylamine hydrochloride, which is neutralized with a base to obtain 3-(di-n-butylamino)propylamine, with a yield of 77%-80%.

purpose

organic synthesis intermediates.

ethylenediamine-n,n,n’,n’-tetra-2-ol ethylenediamine-n,n,n’,n’-tetra-2-propanol

Published by BDMAEE on 2024-01-15 | Permalink

structural formula

business number	02ma
molecular formula	c14h32n2o4
molecular weight	292.41
label	n,n,n’,n’-tetrakis(2-hydroxypropyl)ethylenediamine, 1,1’,1’’,1’’’-(1,2-ethanediyldinitrilo)tetrakis-2-propano, n,n,n’,n’-tetrakis(2-hydroxypropyl)ethylenediamine, ethylenediamine-n,n,n’,n’-tetra-2-propanol

numbering system

cas number:102-60-3

mdl number:mfcd00004534

einecs number:203-041-4

rtecs number:ub5604000

brn number:1781143

pubchem number:24847480

physical property data

1. properties: colorless viscous liquid.

2. density (g/ml, 20℃): 1.03

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 32

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 0.8mmhg): 175-181

p>

7. refractive index: 1.4812

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 20ºc): 1

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v) : undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: easily soluble in water.

toxicological data

acute toxicity: rat oral ld: >500mg/kg; rat intravenous ld: >500mg/kg; mammalian route unknown ld50: 3900mg/kg;

ecological data

this substance is slightly hazardous to water.

molecular structure data

1. molar refractive index: 80.32

2. molar volume (cm³/mol): 265.6

3. isotonic specific volume (90.2k ): 696.9

4. surface tension (dyne/cm): 47.3

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 31.84

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.7

2.�number of �� bond donors: 4

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 11

5. interconversion number of isomers: none

6. topological molecule polar surface area 87.4

7. number of heavy atoms: 20

8. surface charge: 0

p>

9. complexity: 199

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12 .the number of uncertain stereocenters of atoms: 4

13. the number of determined stereocenters of chemical bonds: 0

14. the number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with oxidizing agents.

storage method

store in a cool, ventilated warehouse. keep away from fire, heat sources and anti-static. protect from direct sunlight. keep container tightly sealed. should be kept away from oxidizer, do not store together. equipped with the appropriate variety and quantity of fire equipment. the storage area should be equipped with emergency release equipment and suitable containment materials.

synthesis method

none yet

purpose

it is easily soluble in water, and the aqueous solution is weakly alkaline. mainly used as complexing agent for electroless copper plating

n,n’-diphenylthiourea n,n’-diphenylthiourea

Published by BDMAEE on 2024-01-15 | Permalink

structural formula

business number	02ln
molecular formula	c13h12n2s
molecular weight	228.31
label	n,n’-diphenylthiourea, accelerator ca, diphenylamine thione, diphenylthiourea, diphenylthiourea, diphenylthiourea, 1,3-diphenyl-2-thiourea, diphenylsulfourea, thiocarbanilid, aromatic sulfur compounds

numbering system

cas number:102-08-9

mdl number:mfcd00004921

einecs number:203-004-2

rtecs number:fe1225000

brn number:644277

pubchem number:24900084

physical property data

1. properties: off-white powdery crystal.

2. relative density (g/ml, 20℃): 1.32

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (white flake crystal, ºc): 154-156

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, kpa ): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation (º) : undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 20.2ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): 80

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: easily soluble in ethanol and ether , completely insoluble in water and carbon disulfide. soluble in dimethylformamide, acetone, chloroform, and benzene.

toxicological data

1. acute toxicity: ld5o: 50mg/kg (rat oral); ldlo: 720mg/kg (mouse oral); ldlo: 1500mg/kg (rabbit oral)

2 .poisoning may cause insensitivity and peripheral nerve paralysis, but it does not cause distortion or cancer. this product produces phenyl mustard oil at temperatures above 160°c, which is highly irritating to eyes, skin, and mucous membranes.

ecological data

general notes

do not allow this product to come into contact with groundwater, watercourses or sewage systems

water hazard class 2 (german regulation) (self-check via list)(estimate) this substance is extremely harmful to water.

even small amounts of product seeping into the ground can pose a hazard to drinking water.

do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 72.33

2. molar volume (cm³/mol): 177.7

3. isotonic specific volume (90.2k): 506.9

4. surface tension (dyne/cm): 66.1

5. dielectric constant:

6. dipole moment (10^-24 cm³):

7. polarizability: 28.67

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 56.2

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 196

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1 avoid contact with oxides. easily soluble in ethanol and ether, completely insoluble in water and carbon disulfide. soluble in dimethylformamide, acetone, chloroform, and benzene. slightly soluble in various plasticizers used in polyvinyl chloride, dissolved in alkaline solutions and precipitated in acidic solutions. bitter taste. flammable. glows when rubbed. minimal toxicity.

2.poisonous. can cause serious injury or death if swallowed, inhaled or absorbed through skin contact. contact of molten material with skin or eyes can cause severe burns. suitable protective clothing should be worn.

storage method

store in a cool, ventilated warehouse. keep away from fire, heat sources and anti-static. keep container tightly sealed. should be kept away from oxidizer, do not store together. equipped with the appropriate variety and quantity of fire equipment. suitable materials should also be available to contain spills.

synthesis method

add 1.86 parts of aniline (98%), 1.0 parts of carbon disulfide (98%), and 1.0 parts of absolute ethanol (industrial product) into the reaction kettle, start stirring, and heat to reflux. maintain the reflux condition for 12 hours. the reaction tail gas contains hydrogen sulfide and should be treated with alkali or lime water. the reaction product nndiphenylthiourea is sent to the distillation device, heated to 100°c, and carbon disulfide and ethanol are steamed out under normal pressure (both are recycled). after the low boiling matter is evaporated, the residue is the crude n-n′-diphenylthiourea product. the crude product is discharged while hot and condenses into blocks after natural cooling. after crushing into powder, wash with dilute hydrochloric acid to remove alkaline substances, then wash with water until neutral, and then dry to get the finished product.

purpose

mainly used in natural rubber latex and neoprene dairy products, and also used in the manufacture of vulcanized capsules, water tires, tire repair rubber, wires and cables, industrial products, rubber shoes, etc. the general dosage is 3.5 to 4 parts, combined with 1.5 to 2 parts of sulfur. this product is also used as a heat stabilizer for polyvinyl chloride by emulsion polymerization. it is especially suitable for soft products. the general dosage is 0.2 to 0.5 parts. it will not color plastic products, but it cannot prevent the products from being discolored by light. it cannot be used together with lead, cadmium and other stabilizers, otherwise it will cause discoloration of the product. this product is an intermediate for medicines and dyes and a chemical reagent for the determination of osmium and rhodium products.

n,n’-diphenylurea n,n’-diphenylurea

Published by BDMAEE on 2024-01-15 | Permalink

structural formula

business number	02lm
molecular formula	c13h12n2o
molecular weight	212.25
label	1,3-diphenylurea, diphenylurea, diphenylurea, carbonanilide, n,n’-diphenylurea, carbanilide, aromatic nitrogen-containing compounds and their derivatives

numbering system

cas number:102-07-8

mdl number:mfcd00003017

einecs number:203-003-7

rtecs number:fd9800000

brn number:782650

pubchem number:24848383

physical property data

1. properties: colorless prismatic crystals.

2. density (g/ml, 25℃): 1.239

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 239-241

5. boiling point (ºc, normal pressure): 262

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): 260

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v) : undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in glacial acetic acid, ether, slightly soluble in pyridine, very slightly soluble in water, alcohol, acetone and chloroform.

toxicological data

1. acute toxicity: rat oral ld50: 500mg/kg

ecological data

general remarks

water hazard level 1 (german regulations) (self-assessment via list) this substance is slightly hazardous to water.

do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 65.07

2. molar volume (cm³/mol): 169.8

3. isotonic specific volume (90.2k ): 465.4

4. surface tension (dyne/cm): 56.3

5. dielectric constant:

6. dipole moment��10^-24cm³):

7. polarizability: 25.79

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 41.1

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 196

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with strong oxidizing agents.

storage method

store in a cool, ventilated warehouse. keep away from fire and heat sources. protect from direct sunlight. the packaging is sealed. should be kept away from oxidizer, do not store together. equipped with the appropriate variety and quantity of fire equipment. suitable materials should be available in the storage area to contain spills.

synthesis method

originated from the condensation of aniline and urea.

purpose

it is mainly used as an intermediate of dapsamide, and its chlorosulfonated product can be used as the main raw material of sulfamethoxazole.

n,n’-di-sec-butylphenylenediamine n,n’-di-sec-butyl-p-phenylenediamine

Published by BDMAEE on 2024-01-15 | Permalink

structural formula

business number	02ld
molecular formula	c14h24n2
molecular weight	220.35
label	n,n’-di-sec-butyl-1,4-phenylenediamine, n,n’-di-sec-butyl-p-phenylenediamine

numbering system

cas number:101-96-2

mdl number:mfcd00043658

einecs number:202-992-2

rtecs number:ss9040000

brn number:2805827

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air=1 ): undetermined

4. melting point (ºc): 17.8

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc) , 7mmhg): 159

7. refractive index: 1.539

8. flash point (ºc): 100

9. specific rotation (º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12 . saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

p>

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

1. skin/eye irritation: standard dresser test: rabbit skin contact, 500μl/24hreaction severity, strong reaction; standard dresser test: rabbit eye contact, 100μl/24hreaction severity, strong reaction; 2. acute toxicity: large rat oral ld50: 148mg/kg; rat inhalation lclo: 600mg/m3/6h; rabbit skin contact ld50: 2806mg/kg; guinea pig skin contact ld50: 5mg/kg; mammalian peritoneal cavity ld50: 10ml/kg ;

ecological data

none yet

molecular structure data

1. molar refractive index: 73.18

2. molar volume (cm³/mol): 228.1

3. isotonic specific volume (90.2k ): 558.5

4. surface tension (dyne/cm)��35.9

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 29.01

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 154

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet