1 – Page 22 – BDMAEE

1,3-diisopropylbenzene 1,3-diisopropylbenzene

Published by BDMAEE on 2024-01-11 | Permalink

structural formula

business number	02g6
molecular formula	c12h18
molecular weight	162.27
label	m-diisopropylbenzene, 1,3-diisopropylbenzene, m-dicumylbenzene, 1,3-bis(1-methylethyl)-benzen, 1,3-bis(1-methylethyl)benzene, 1,3-bis(1-methylethyl)-benzene, m-diisopropyl-benzen, m-diisopropylbenzol

numbering system

cas number:99-62-7

mdl number:mfcd00008889

einecs number:202-773-1

rtecs number:cz6334000

brn number:1905828

pubchem number:24863973

physical property data

1. properties: colorless liquid.

2. density (g/ml, 20℃): 0.856

3. liquid phase standard hot melt (j·mol^-1·k^-1): 299.3

4. melting point (ºc): -63.1

5. boiling point (ºc, normal pressure): 203.2

6. boiling point (ºc, kpa): undetermined

7. refractive index: 1.4883

8. flash point (ºc): 76

9 . specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): 449

11. solubility parameter (j·cm^{– 3})^0.5: 16.578

12. van der waals area (cm²·mol^-1 ): 1.404×10¹⁰

13. van der waals volume (cm³·mol^-1): 101.000

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

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

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

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

19. solubility: undetermined

toxicological data

1. acute toxicity: rat oral ld50: 7400mg/kg; rat route unknown ld50: 8630mg/kg; mouse oral ld50: 3100mg/kg; mouse peritoneal cavity ld50: 1650mg/kg; mice passing unknown ld50 : 3100mg/kg; 2. other multiple dose toxicity: rat oral tdlo: 45500μg/kg/26w-i;nbsp; tclo inhaled by rats: 1mg/m3/5h/22w-i; tclo inhaled by rabbits: 1mg/m3/5h/22w-i; 3. reproductive toxicity: tclo inhaled by rats at 22 weeks of pregnancy: 200μg/m3/5hsex /duration;

ecological data

this substance is slightly hazardous to water.

molecular structure data

1. molar refractive index: 54.62

2. molar volume (cm³/mol): 189.5

3. isotonic specific volume (90.2k ): 437.3

4. surface tension (dyne/cm): 28.3

5. dielectric constant: 2.30

6. dipole moment (10^-24cm³):

7. polarizability: 21.65

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: 0

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 110

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. 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

none yet

purpose

none yet

1,2-dichloro-4-nitrobenzene 1,2-dichloro-4-nitrobenzene

Published by BDMAEE on 2024-01-10 | Permalink

structural formula

business number	02fy
molecular formula	cl2c6h3no2
molecular weight	192
label	3,4-dichloronitrobenzene, 1,2-dichloro-4-nitrobenzene, 3,4-dichloronitrobenzene, 3,4-dcnb, dcnb, asym.-nitro-o-dichlorobenzene

numbering system

cas number:99-54-7

mdl number:mfcd00007207

einecs number:202-764-2

rtecs number:cz5250000

brn number:1818163

pubchem number:24861969

physical property data

1. properties: needle-like crystals.

2. density (g/ml, 20℃): 1.46

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

4. melting point (ºc): 43

5. boiling point (ºc, normal pressure): 255-256

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): 123

9. specific rotation (º): undetermined

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

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

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

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

19. solubility: insoluble in water, soluble in hot ethanol and ether.

toxicological data

1. skin/eye irritation: standard dresser test: rabbit skin contact, 500mg/24hreaction severity, mild reaction; standard dresser test: rabbit eye contact, 100mg/24hreaction severity, moderate reaction; 2. acute toxicity: large rat oral ld50: 953mg/kg; rat inhalation lc50: 10mg/m3/4h; rat peritoneal cavity ld50: 400mg/kg; mouse oral ld50: 1384mg/kg; mouse peritoneal cavity ld50: 400 mg/kg; cat skin contact ld50: 790mg/kg; rabbit skin contact ld: >200mg/kg; guinea pig oral ld50: 500mg/kg; 3. other multi-dose toxicity: rat inhalation tclo: 10mg/m3/4h/17w- i; mice inhaled tclo: 28mg/m3/4h/21d-i; 4. mutagenicity: mutant microbial test: bacteria – salmonella typhimurium, 250μg/plate; sex chromosome loss and non-disjunction test: insect – melanogaster flies, 200 ppm;

ecological data

this substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

molecular structure data

1. molar refractive index: 42.58

2. molar volume (cm³/mol): 125.1

3. isotonic specific volume (90.2k ): 334.4

4. surface tension (dyne/cm): 50.9

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 16.88

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: 0

5. number of tautomers: none

6. topological molecule polar surface area 45.8

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 159

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 oxidants, strong reducing agents, and strong alkalis.

storage method

store in a cool, ventilated warehouse. keep away from fire and heat sources. they should be stored separately from oxidants, reducing agents and alkalis, and avoid mixed storage. equipped with the appropriate variety and quantity of fire equipment. suitable materials should be available in the storage area to contain spills.

synthesis method

there are two main production methods. one is nitration of o-dichlorobenzene. the nitrification temperature can be controlled at around 0°c or slightly higher than room temperature. the other production method is chlorination of p-nitrochlorobenzene.

purpose

pharmaceutical and pesticide intermediates.

1,3,5-trinitrobenzene 1,3,5-trinitrobenzene

Published by BDMAEE on 2024-01-10 | Permalink

structural formula

business number	02fp
molecular formula	c6h3n3o6
molecular weight	213.1
label	symmetric trinitrobenzene, s-trinitrobenzene, tnb, 1,3,5-trinitro-benzen, benzene,1,3,5-trinitro-, benzite, rcra waste number u234, rcrawastenumberu234, s-trinitrobenzene

numbering system

cas number:99-35-4

mdl number:mfcd00059179

einecs number:202-752-7

rtecs number:dc3850000

brn number:none

pubchem id:none

physical property data

1.characteristics: white or yellow orthorhombic crystal. ^[1]

2. melting point (℃): 123^[2]

3. boiling point (℃): 315 (decomposition) ^[3]

4. relative density (water = 1): 1.76^[4]

5. saturated vapor pressure (kpa): 0.27 (175℃)^[5]

6. heat of combustion (kj/mol): -2774.3^[6]

7. critical temperature (℃): 562^[7]

8. critical pressure (mpa): 3.39^[8]

9. octanol/water partition coefficient: 1.10^[9]

10. solubility: insoluble in water, slightly soluble in heat ethanol is easily soluble in ether, acetone and benzene. ^[10]

toxicological data

1. skin/eye irritation: standard dresser test: rabbit eye contact, 100mgreaction severity, strong reaction;

2. acute toxicity: rat oral ld50: 275mg/kg; small mouse oral ld50: 572mg/kg; intravenous injection ld50 in mice: 32mg/kg; rabbit skin contact ld: >2mg/kg; guinea pig oral ld50: 730mg/kg;

3. other multiple doses toxicity: rat oral tdlo: 3640μg/kg/26w-i; rat oral tdlo: 710mg/kg/10d-i; rat oral tdlo: 2070mg/kg/90d-c; rat oral tdlo: 355mg/kg/10d-i; oral tdlo for dogs: 400mg/kg/4d-i;

4. mutagenicity: mutant microorganism test: bacteria – salmonella typhimurium, 10μg/plate;

p>

5. acute toxicity ^[11] ld50: 275mg/kg (oral in rats); 572mg/kg (oral in mice); 730mg/ kg (guinea pig oral)

6. irritation ^[12] rabbit eye: 100mg, severe irritation.

7. mutagenicity ^[13] microbial mutagenicity: salmonella typhimurium 10μg/dish.

ecological data

1. ecotoxicity no data available

2. biodegradability no data available

3 .non-biodegradability no information available

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: 45.88

2. molar volume (cm³/mol): 124.9

3. isotonic specific volume (90.2k ): 373.7

4. surface tension (dyne/cm): 80.0

5. polarizability: 18.19

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: 6

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 138

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 229

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, ammonia, amines, etc.

3. conditions to avoid contact^[17] heat, impact, friction, vibration

4. polymerization hazard^[18] no polymerization

5. decomposition products^[19] nitrogen oxides

storage method

storage precautions^[20] store in a cool, dry and ventilated warehouse dedicated to explosives. the storage temperature does not exceed 32°c and the relative humidity does not exceed 80%. if it contains water as a stabilizer, the storage temperature should not be lower than 1°c, the relative humidity should be less than 80%, and it should be kept away from fire and heat sources. they should be stored separately from oxidants, reducing agents, active metal powders and alkalis, 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. suitable materials should be available in the storage area to contain spills. vibration, impact and friction are prohibited.

synthesis method

none yet

purpose

used as an explosive and as a ph indicator in analytical chemistry. ^[21]

1,3-dibromo-5,5-dimethylhydantoin 1,3-dibromo-5,5-dimethylhydantoin

Published by BDMAEE on 2024-01-10 | Permalink

structural formula

business number	01lt
molecular formula	c5h6br2n2o2
molecular weight	285.92
label	1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione, dibromodimethylhydantoin, 1,3-dibromo-5,5-dimethylhydantoin, dibromohydantoin, 1,3-dibromo-5,5-dimethylcaprolhydantoin, 1,3-dibromo-5,5-dimethylureidoacetolactam, 5,5-dimethyl-1,3-dibromohydantoin, hydantoin, 1,3-dibromo-5,5-dimethyl-, dibromantine, 1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione, halogenating reagent

numbering system

cas number:77-48-5

mdl number:mfcd00003189

einecs number:201-030-9

rtecs number:mu0686000

brn number:146024

pubchem number:24849707

physical property data

1. characteristics: light yellow crystal.

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc):197 -199℃

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

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

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

11. vapor pressure (kpa,25ºc): unsure

（10^-24cm³):18.28

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.5

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 40.6

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 229

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

2 bromohydantoin removal has the high efficiency, broad spectrum, wide range of application, small residue, and is not affected by ammonia nitrogen/phin addition to its advantages such as value influence, dibromohydantoin also has advantages and characteristics that other halogenated hydantoins do not have: dibromohydantoin is mainly formed when hydrolyzed in water hypobromous acid, which releases bromine in the form of hypobromous acid. the reaction of dibromohydantoin to release bromine occurs quickly, and a large amount of bactericidal hypobromous acid is quickly formed in the water. however, other halogenated hydantoins, such as dichlorohydantoin or bromochlorohydantoin, react slowly to release halogen ions in the water. the peak time for disinfectant sterilization is relatively delayed, so dibromohydantoin is more efficient than other halogenated hydantoins under conditions that require relatively rapid sterilization.

storage method

storage in a cool, dry environment, it is strictly prohibited to mix it with toxic and harmful substances to avoid contamination.

synthesis method

by 5,5-dimethylpyridine urea is obtained by bromination. will5,5- dimethyl b mix hydantoin, sodium carbonate, sodium hydroxide and water, slowly add bromine while cooling, pour into water after addition, and filter out the crystals after standing, which is the crude product. then dissolve the crude product in acetone, decolorize and filter, and pour the filtrate into water to obtain white crystals, which is the finished product.

purpose

this it is a new type of sterilizing and disinfecting water treatment agent. widely used in industrial water treatment systems, indoor and outdoor swimming(bath) pool, health system and disinfection of breeding water environment. can kill a variety of germs and viruses. it can prevent and treat aquaculture animal diseases caused by bacteria and viruses.

�disinfection of the environment. can kill a variety of germs and viruses. it can prevent and treat aquaculture animal diseases caused by bacteria and viruses.

1,5-dihydroxynaphthalene 1,5-dihydroxynaphthalene

Published by BDMAEE on 2024-01-10 | Permalink

structural formula

business number	01u3
molecular formula	c10h8o2
molecular weight	160.17
label	1,5-dihydroxynaphthalene, 1,5-naphthodiol, 1,5-dihydroxynaphthalene, naphthalene-1,5-diol, 1,5-naphthalenediol, c10h6(oh)2

numbering system

cas number:83-56-7

mdl number:mfcd00003980

einecs number:201-487-4

rtecs number:qj4740000

brn number:2044951

pubchem number:24893367

physical property data

1. characteristics: white needle-like crystals.

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc): 265 ℃

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

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flashpoint (ºc): 252℃

9. specific optical rotation (º): unsure.

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

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc3. isotonic ratio (90.2k):341.1

4. surface tension (dyne/cm):64.4

5. polarizability（10^-24cm³):18.97

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: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 3

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 140

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 sealed in store in a cool and dry place.

synthesis method

by1,5- naphthalenedisulfonic acid is obtained by alkali fusion and acidification. heat the sodium hydroxide solution to290℃, add while stirring1,5-naphthalenedisulfonic acid, in280-300after adding the temperature between ℃, continue stirring30min . cool and acidify with hydrochloric acid to ph6-7. cool, filter and refine to obtain1,5-dihydroxynaphthalene.

purpose

for organic synthesis, dye intermediates, pharmaceutical intermediates, photographic industry.

rial; mso-bidi-font-family: arial; mso-ansi-language: en-us; mso-fareast-language: zh-cn; mso-bidi-language: ar-sa”>℃, add while stirring1,5-naphthalenedisulfonic acid, in280-300after adding between ℃, continue stirring30min. cool and acidify with hydrochloric acid to ph6-7. cool, filter and refine to obtain1,5-dihydroxynaphthalene.

purpose

for organic synthesis, dye intermediates, pharmaceutical intermediates, photographic industry.

1,4-dibromonaphthalene 1,4-dibromonaphthalene

Published by BDMAEE on 2024-01-10 | Permalink

structural formula

business number	01u1
molecular formula	c10h6br2
molecular weight	285.96
label	1,4-dibromonaphthalene, 1,4-dibromonaphthalene

numbering system

cas number:83-53-4

mdl number:mfcd00041823

einecs number:201-484-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. physical property data

1. character: uncertain.

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc):80 ~82℃

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

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure.

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

11. vapor pressure (kpa,25ºc): unsure

12.lang=en-us style=”font-size: 9pt; font-family: arial; mso-fareast-font-family: arial; mso-font-kerning: 0pt”>17. explosion limit (%,v/v): unsure

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

19. solubility: uncertain

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 59.47

2. molar volume (m³/mol）：155.9

3. isotonic specific volume (90.2k):412.0

4. surface tension (dyne/cm):48.7

5. polarizability（10^-24cm³):23.57

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: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 140

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

none yet

synthesis method

none yet

purpose

none yet

; mso-margin-bottom-alt: auto” align=left>3. isotonic specific volume (90.2k): 412.0

4. surface tension (dyne/cm):48.7

5. polarizability（10^-24cm³):23.57

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: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 140

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

none yet

synthesis method

none yet

purpose

none yet

1,1-difluorotetrachloroethane 1,1-difluorotetrachloroethane

Published by BDMAEE on 2024-01-05 | Permalink

structural formula

business number	01kt
molecular formula	c2cl4f2
molecular weight	203.83
label	1,1-difluoro-1,2,2,2-tetrachloroethane, 2,2-difluorotetrachloroethane, 1,1,1,2-tetrachloro-2,2-difluoroethane, 1,2,2,2-tetrachloro-1,1-difluoroethane, 1,1-difluoro-1,2,2,2-tetrachloro-ethan, 2,2-difluoro-1,1,1,2-tetrachloro-ethan, 2,2-difluorotetrachloroethane, cfc-112a

numbering system

cas number:76-11-9

mdl number:mfcd00000798

einecs number:200-934-0

rtecs number:ki1425000

brn number:none

pubchem id:none

physical property data

1. character: uncertain

2. density (g/ml,25/4℃): (20/4℃)1.65

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

4. melting point (ºc):38 -40℃

5. boiling point (ºc,normal pressure):91℃

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

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

11. fo1; tab-stops: list 36.0pt” align=left>10. isotope atoms quantity: 0

11. determine the number of atomic stereocenters:0

12. uncertain number of atomic stereocenters:0

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

14. uncertain number of chemical bond stereocenters:0

15. number of covalent bond units:1

properties and stability

none

storage method

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

synthesis method

while stirring, quickly add anhydrous aluminum trichloride to the melted freon112medium, heat preservation stir2-3h, then warm it up to 60-70℃, insulation filtration, fractionation of the filtrate, collection91-92℃fraction, get2,2-difluorotetrafluoroethylene ethyl chloride. yield70%.

purpose

intermediate of the pharmaceutical anesthetic methoxyflurane; can be used as foaming agent, propellant, and refrigerant.

e: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>stir anhydrous aluminum trichloride quickly add melted freon112medium, keep warm and stir2-3h, and then warm to 60-70℃, insulation filtration, filtrate fractionation, collection91-92℃fraction, get2,2-difluorotetrachloroethane. yield70%.

purpose

intermediate of the pharmaceutical anesthetic methoxyflurane; can be used as foaming agent, propellant, and refrigerant.

(1,2-dibromoethyl)benzene (1,2-dibromoethyl)benzene

Published by BDMAEE on 2024-01-05 | Permalink

structural formula

business number	026d
molecular formula	c8h8br2
molecular weight	263.96
label	1,2-dibromoethylbenzene 1,2-dibromo-1-phenylethane, styrene dibromide, 1,2-dibromo-2-phenylethane, 1,2-dibromo-1-phenylethane, c6h5ch(br)ch2br

numbering system

cas number:93-52-7

mdl number:mfcd00000138

einecs number:202-253-4

rtecs number:cz1800100

brn number:907323

pubchem number:24860601

physical property data

1. properties: white flaky crystals. sensitive to light.

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

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

4. melting point (ºc): 74.3

5. boiling point (ºc, normal pressure): 259.5

6. boiling point (ºc, 2kpa): 139～141

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

p>

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

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

12. saturated vapor pressure (kpa, 60ºc): 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 ethanol and benzene, insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 51.26

2. molar volume (cm³/mol): 149.3

3. isotonic specific volume (90.2k ): 386.8

4. surface tension (dyne/cm): 44.9

5. polarizability (10^-24cm³): 20.32

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 87.3

10. same asnumber of element atoms: 0

11. determined number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determined number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed and stored in a cool place.

synthesis method

none

purpose

synthetic dyes, quaternary ammonium compounds.

1,2-dibromo-1,1-dichloroethane 1,2-dibromo-1,1-dichloroethane

Published by BDMAEE on 2024-01-04 | Permalink

structural formula

business number	01k6
molecular formula	c2h2br2cl2
molecular weight	256.75
label	1,2-dibromo-2,2-dichloroethane, 1,2-dibromo-1,1-dichloro-ethane

numbering system

cas number:75-81-0

mdl number:mfcd00053228

einecs number:200-904-7

rtecs number:none

brn number:none

pubchem id:none

physical property data

toxicological data

1, acute toxicity

大mouse caliberld50:205mg/kg

large rat inhalationlc50: 83 ppm/6h

rabbit skinld50:500mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 36.44

2. molar volume (m³/mol）：110.7

3. isotonic specific volume (90.2k):287.9

4. surface tension (dyne/cm):45.7

5. polarizability（10^-24cm³):14.44

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 44.8

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

storage method

none

synthesis method

none

purpose

none

>

5. polarizability（10^-24cm³):14.44

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 44.8

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

storage method

none

synthesis method

none

purpose

none

1,2-propylene glycol 1,2-propylene glycol

Published by BDMAEE on 2024-01-04 | Permalink

structural formula

business number	018s
molecular formula	c3h8o2
molecular weight	76.10
label	propylene glycol, 1,2-dihydroxypropane, α-propylene glycol, methyl glycol, propylene glycol, one propyl alcohol, 1,2-dihydroxypropanol, propylene glycol, 1,2-dihydroxy-propane, methyl glycol, aliphatic alcohols, ethers and their derivatives

numbering system

cas number:57-55-6

mdl number:mfcd00064272

einecs number:200-338-0

rtecs number:ty2000000

brn number:1340498

pubchem number:24864713

physical property data

1. properties: colorless, viscous and stable water-absorbing liquid, almost tasteless and odorless, flammable, low toxicity.

2. boiling point (ºc, 101.3kpa): 187.3

3. melting point (ºc, pouring point): -60

4. relative density (g /ml, 20/20ºc): 1.0381

5. relative density (20℃, 4℃): 1.0362

6. refractive index (n20ºc): 1.4329

7. viscosity (mpa·s, 0ºc): 243

8. viscosity (mpa·s, 20ºc): 56.0

9. viscosity (mpa·s, 40ºc) : 18

10. flash point (ºc, closed): 98.9

11. flash point (ºc, open): 107

12. fire point (ºc ): 421.1

13. heat of combustion (kj/mol, constant pressure): 1827.5

14. heat of combustion (kj/mol, constant volume): 1825.0

15. heat of combustion (kj/mol, 20ºc, 101.3kpa): 1853.1

16. heat of evaporation (kj/kg): 538.1

17. heat of generation (kj/ mol, 20ºc): 500.3

18. specific heat capacity (kj/(kg·k), 20ºc, constant pressure): 2.48

19. critical temperature (ºc): 351

20. critical pressure (mpa): 5.9

21. thermal conductivity (w/(m·k)): 0.217714

22. lower explosion limit (% ,v/v): 2.6

23. explosion upper limit (%,v/v): 12.5

24. volume expansion coefficient (k^-1 , 20ºc): 0.000695

25. volume expansion coefficient (k^-1, 55ºc): 0.000743

26. vapor pressure (kpa, 55ºc): 0.19

27. solubility: can be dissolved with water and ethanolh, 80% propylene glycol is obtained. control the feeding speed of dichloropropane, that is, the feeding speed is fast at high temperature and slow at low temperature. example: add 60g calcium carbonate and 150g water into a 300ml autoclave, stir and heat to 230°c, continuously add dichloropropane at a rate of 0.03g/(min·100gh2o) for 11.5h; continue stirring at this temperature for 30min, and then quench at room temperature, the propylene glycol yield is about 95%. by controlling the temperature within 130-300°c and changing the feed rate of dichloropropane accordingly, the yield of propylene glycol can reach over 95%. (2) two-step hydrolysis process: the raw materials are first reacted in a kettle reactor. after the dichloropropane reaches a certain conversion rate, the material is then pumped into a plug flow reactor to continue the reaction, and finally hydrolyzed into propylene glycol. example: add 606kg of dichloropropane into a 2 cubic meter reaction kettle, then add 800kg of sodium acetate, 556kg of 1,2-propanediol, 10kg of acetic acid and 1kg of water, stir and raise the temperature to 180°c, cool to 120°c after 4 hours, and extract the material. after the preheater is heated to 180°c, it passes through a plug flow reactor with a length of 400m, an inner diameter of 25mm, and a volume of 230l at a speed of 500l/h. the product is collected in the second stirred tank and cooled to room temperature. the analyzed product is: 44kg dichloropropane, 334kg propylene glycol, 32kg sodium acetate, 44kg acetic acid, 234kg 1,2-diacetoxypropane, 693kg propylene glycol monoacetate, 45kg 1-chloropropene, 547kg nacl and 1kg water.

purpose

1. propylene glycol is an important raw material for unsaturated polyester, epoxy resin, polyurethane resin, plasticizer, and surfactant. the amount used in this aspect accounts for about 45% of the total consumption of propylene glycol. this unsaturated polyol esters are used extensively in surface coatings and reinforced plastics. propylene glycol is widely used as a hygroscopic agent, antifreeze, lubricant and solvent in the food, pharmaceutical and cosmetic industries due to its good viscosity, hygroscopicity and non-toxic properties. in the food industry, propylene glycol reacts with fatty acids to form propylene glycol fatty acid esters, which are mainly used as food emulsifiers; propylene glycol is an excellent solvent for condiments and pigments. due to its low toxicity, it is used as a solvent for spices and food colorings in the food industry. propylene glycol is commonly used in the pharmaceutical industry as a solvent, softener and excipient in the manufacture of various ointments and ointments. in the pharmaceutical industry, it is used as a solvent for blending agents, preservatives, ointments, vitamins, penicillins, etc. because propylene glycol has good miscibility with various fragrances, it is also used as a solvent and softener in cosmetics. propylene glycol is also used as a tobacco humidifier, antifungal agent, food processing equipment lubricant, and solvent for food marking ink. aqueous solutions of propylene glycol are effective antifreeze agents. it is also used as tobacco wetting agent, antifungal agent, fruit ripening preservative, antifreeze and heat carrier.

2.used in organic synthesis as solvent, dehydrating agent, plasticizer, antifreeze, and gas chromatography stationary solution.

3.commonly used organic synthetic raw materials for the manufacture of unsaturated polyester resin. it can also be used as emulsifier, preservative and antifreeze. it is also used in the manufacture of alkyd resins, polypropylene glycol, plasticizers, surfactants and lubricants. due to its good hygroscopicity and low toxicity, it is used in the pharmaceutical industry as a solvent for blenders, preservatives, ointments, ointments, pills and vitamins, as well as softeners and excipients. used as a solvent for spices, condiments and food colorings in the food industry. it is also used as tobacco humidifier, antifungal agent, fruit ripening preservative, coating film-forming additive, antifreeze and heat transfer medium. it is also often used as a substitute for ethanol and glycerin, and can be used as a wetting agent in combination with glycerin or sorbitol in toothpaste and cosmetics.