1 – Page 5 – BDMAEE

1,3-diiodobenzene

Published by BDMAEE on 2024-03-29 | Permalink

structural formula

business number	06sq
molecular formula	c6h4i2
molecular weight	329.90
label	m-diiodobenzene, m-diodobenzene

numbering system

cas number:626-00-6

mdl number:mfcd00041731

einecs number:210-921-1

rtecs number:none

brn number:1904540

pubchem number:24871105

physical property data

1. characteristics: light brown or cream solid.

2. density (g/ml,25/4℃): 2.47

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

4. melting point (ºc): 35-37

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

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

7. refractive index: undetermined

8. flashpoint (ºc):>110

9. specific optical rotation (º): undetermined

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

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

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

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

toxicological data

none yet

ecological data

generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

molecular structure data

1. moore refraction rate: 52.06

2. molar volume (cm³/mol):133.5

3. isotonic specific volume (90.2k):358.4

4. surface tension (dyne/cm）：51.8

5. polarization rate（10^-24cm³):20.64

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.2

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: 8

8. surface charge: 0

9. complexity: 64.9

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

keep away from light, oxides.

storage method

store in an airtight container in a cool, dry place. store away from oxidizing agents. keep away from light.

synthesis method

it is obtained by diazotization and replacement of m-phenylenediamine hydrochloride.

purpose

used in organic synthesis.

resource:allhdi.com

1,2-bistrifluoromethylbenzene

Published by BDMAEE on 2024-03-28 | Permalink

structural formula

business number	04tc
molecular formula	c8h4f6
molecular weight	214.11
label	1,2-bis(trifluoromethyl)benzene, o-bis(trifluoromethyl)benzene, o-xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, 1,2-bis(trifluoromethyl)benzene, 1,2-bis(trifluromethyl)benzene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-o-xylene, α,α,α,α’,α’,α’-hexafluoro-o-xylene

numbering system

cas number:433-95-4

mdl number:none

einecs number:207-092-3

rtecs number:none

brn number:none

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): not available

relative vapor density (g/ml, air=1)：not available

melting point (ºc): not available

boiling point (ºc, normal pressure):not available

boiling point (ºc, 5.2kpa): not available

refraction rate: not available

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

solubility:not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1、 molar refractive index:36.21

2、 molar volume（m³/mol)：156.4

3、 isotonic specific volume (90.2k):321.6

4、 surface tension（dyne/cm)：17.8

5、 polarizability(10^-24cm³）：14.35

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.7

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 0

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 169

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

resource:allhdi.com

1,3-diaminopentane

Published by BDMAEE on 2024-03-28 | Permalink

structural formula

business number	0602
molecular formula	c5h14n2
molecular weight	102.18
label	1,3-pentanediamine, dytek ep diamine, 1,3-pentanediamine, ch3ch2ch(nh2)ch2ch2nh2

numbering system

cas number:589-37-7

mdl number:mfcd00134550

einecs number:none

rtecs number:none

brn number:6796726

pubchem number:24863830

physical property data

1. physical property data

1. boiling point (ºc, normal pressure): 64°c

2. density: 0.855g/ml at 25 °c (lit.

3. melting point (ºc): -121

4. refractive index: n20/d 1.452(lit.)

5. flash point (ºc): 138 °f

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 32.24

2. molar volume (cm³/mol) 118.8

3. isotonic specific volume (90.2k) : 286.5

4. surface tension (dyne/cm): 33.8

5. polarizability (10-24cm3): 12.78

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 52

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 37.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

resource:allhdi.com

1,6-dihydroxynaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05uz
molecular formula	c10h8o2
molecular weight	160.17
label	2,5-dihydroxynaphthalene, 1,6-naphthodiol, 1,6-naphthalenediol, organic synthesis of dyes

numbering system

cas number:575-44-0

mdl number:mfcd00003981

einecs number:209-386-7

rtecs number:qj4743333

brn number:1939032

pubchem number:24863499

physical property data

1. physical property data

1. melting point (ºc): 130-133

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index:47.85

2. molar volume (m³/mol）：120.4

3. isotonic specific volume (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: 19

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 158

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

stability and reactivity:

materials to avoid: oxides.

products to be decomposed: carbon monoxide and carbon dioxide.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none yet

purpose

purpose:

used as dyes and pharmaceutical intermediates.

resource:allhdi.com

1,6-dimethylnaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05uy
molecular formula	c12h12
molecular weight	156.22
label	aromatic compounds

numbering system

cas number:575-43-9

mdl number:mfcd00004039

einecs number:209-385-1

rtecs number:none

brn number:1854429

pubchem number:24869400

physical property data

1. physical property data

1. properties: colorless liquid.

2. density (g/ml, 25/4℃): 1.0021

3. refractive index (nd20): 1.6166

4. flash point (℃): 112

5. melting point (℃): -16

6. boiling point (ºc): 265

7. boiling point (ºc, 2.0kpa): 130～135

8. relative density (20℃, 4℃): 1.0019

9. refractive index at room temperature (n²⁵): 1.6050

10. liquid phase standard hot melt (j·mol^-1·k^-1): 280.0

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 156.0

3. isotonic specific volume (90.2k): 386.3

4. surface tension (dyne/cm): 37.5

5. polarizability (10^-24cm³): 21.30

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: 150

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. exists in oriental tobacco leaves and smoke.

storage method

1. storage

should be kept sealed in a cool place.

synthesis method

1. tobacco: or, 57.

purpose

2. use

used in organic synthesis.

resource:allhdi.com

1,3-dichloropropene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05lq
molecular formula	c3h4cl2
molecular weight	110
label	drip mixture, drip mixture, drops, 1,3-dichloro-1-propene, 2-chloropropenyl chloride, o-dichloropropylene, 1,3-dichloropropene, trans-1,3-dichloro-1-propene, trans-1,3-dichloropropylene

numbering system

cas number:542-75-6

mdl number:mfcd00000985

einecs number:208-826-5

rtecs number:uc8310000

brn number:1719556

pubchem id:none

physical property data

1. properties: amber liquid with a chloroform-like smell. ^[1]

2. melting point (℃): -84^[2]

3. boiling point (℃): 108^[3]

4. relative density (water = 1): 1.22^[4]

5. relative vapor density (air=1): 3.8^[5]

6. saturated vapor pressure (kpa): 4.5 (25℃)^[6]

7. heat of combustion (kj/mol): -1775.5^[7]

8. octanol/water partition coefficient: 1.82^{[8 ]}

9. flash point (℃): 25 (cc); 35 (oc) ^[9]

10. explosion limit (%): 14.5^[10]

11. lower explosion limit (%): 5.0^[11]

12. solubility: insoluble in water, soluble in most organic solvents such as ethanol, ether, and benzene. ^[12]

toxicological data

1. acute toxicity^[13]

ld50: 470~710mg/kg (rat oral ); 640mg/kg (oral in mice); 775mg/kg (transdermal in rats); 504mg/kg (transdermal in rabbits)

lc50: 500ppm (rat inhalation); 4650mg/m³(mouse inhalation, 2h)

2. irritation no data available

3. subacute and chronic toxicity^[14] rats inhaled 50ppm, 6 hours a day, for 12 weeks, the liver and kidneys were enlarged, but the animals survived.

4. mutagenicity^[15] microbial mutagenicity: salmonella typhimurium 100μg/dish. sister chromatid exchange: hamster ovary 900nmol/l. dna damage: mice were given 150 mg/kg intraperitoneally.

5. carcinogenicity^[16] iarc carcinogenicity comment: g2b, suspected human carcinogen.

ecological data

1. ecotoxicity no data yet

2. biodegradability^[17]

aerobic biodegradation (h): 168~672

anaerobic biodegradation (h): 672~2688

3 .non-biodegradability^[18]

photooxidation half-life in air (h): 4.66~80.3

first-order hydrolysis half-life (h): 271

molecular structure data

1. molar refractive index: 25.70

2. molar volume (cm³/mol): 94.4

3. isotonic specific volume (90.2k ): 215.6

4. surface tension (dyne/cm): 27.1

5. polarizability (10^-24cm³)：10.18

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

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:

6. topological molecular polar surface area (tpsa): 0

7. number of heavy atoms: 5

8. surface charge: 0

9. complexity: 31.9

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 number: 1

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. stability^[19] stable

2. incompatible substances^[20] strong oxidants, acids

3. conditions to avoid contact^[21] heating

4. polymerization hazards^[22] polymerization

5. decomposition products^[23] hydrogen chloride, light qi

storage method

storage precautions^[24]stored in a cool, ventilated warehouse. keep away from fire and heat sources. the storage temperature should not exceed 37℃. the packaging must be sealed and must not come into contact with air. 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

it can be separated from the by-product of propylene chloride produced from high-temperature chlorination of propylene. it can also be obtained by dehydrochlorination of 1,2,3-trichloropropane under the action of alkali.

purpose

1. it can be mixed with dichloropropane as a soil fumigant, and can also be used as a chemical reagent and solvent to treat the soil before crop planting. it can prevent and control root-knot nematodes, short-body nematodes, cyst nematodes and other nematodes in various crops. and underground pests.

2. used in organic synthesis and as an antifungal agent. ^[25]

resource:allhdi.com

1,4-benzenedimethanol

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05zz
molecular formula	c8h10o2
molecular weight	138.17
label	terephthalol, p-phenylenedimethanol, p-xylene-α,α’-diol, p-xylylene glycol, c6h4(ch2oh)2

numbering system

cas number:589-29-7

mdl number:mfcd00004665

einecs number:209-641-2

rtecs number:none

brn number:2042077

pubchem number:24847533

physical property data

1. physical property data

1. properties: white needle-like crystals.

2. melting point (℃): 115-116

3. boiling point (ºc, 133pa): 138-143

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 39.15

2. molar volume (cm³/mol) 117.0

3. isotonic specific volume (90.2k) : 314.3

4. surface tension (dyne/cm): 51.9

5. polarizability (10-24cm3): 15.52

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: 2

5. number of tautomers: none

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 73.3

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

1. brief description of the production method

obtained from the hydrolysis of p-phenylene dimethyl chloride. add paraphenylene dimethyl chloride, sodium carbonate and water into the reactor, use industrial alcohol as the emulsifier, raise the temperature to below 90°c, stir and react for 3 hours to obtain the finished product. the yield is over 85%.

2. preparation method:

add 1l of distilled water, 150g (0.52mol) of crystalline sodium carbonate, and 80g (0.46mol) of terephthalyl chloride (2) into the high-pressure reaction kettle, and heat to 150°c with stirring. when this temperature is reached, open the vent valve of the autoclave every 5 to 10 minutes to discharge the generated carbon dioxide. keep the pressure in the autoclave at around 0.5mpa and around 150°c. after 3 hours, cool to 80°c, open the valve of the autoclave, pour out the reactants, and use a small amount ofwash the reaction kettle with water. the reaction solution was filtered while hot, then concentrated to about 200 ml and allowed to cool. excess solid precipitated. dissolve the solid in 250 ml of hot ethanol, filter out the insoluble inorganic salts, concentrate to about 130 ml, and cool to crystallize. after suction filtration and drying, 45g of terephthalenedimethanol (1) was obtained, mp was 115~117°c, and the yield was 75%. ^[1]

purpose

2. uses

intermediates for organic synthesis. used in the production of soluble polyphenylene.

resource:allhdi.com

2,3-dichloro-1,1,1-trifluoropropane

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	04ag
molecular formula	c3h3cl2f3
molecular weight	166.96
label	2,3-dichloro-1,1,1-trifluoropropane, 2,3-dichloro-1,1,1-trifluoropropane, 2,3-dichloro-1,1,1-trifluoro-propan, 2,3-dichloro-1,1,1-trifluoropropane97%, 1,2-dichloro-3,3,3-trifluoropropane

numbering system

cas number:338-75-0

mdl number:mfcd00069089

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

一 , physical property data

traits ：liquid

density (g/ml,25/4℃): not available

relative vapor density (g/ml, air=1)：not available

melting point (ºc): not available

boiling point (ºc, normal pressure): 76

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.367

flash point (ºc): 76

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 26.06

2. molar volume (m³/mol）：117.5

3. isotonic specific volume (90.2k):249.3

4. surface tension (dyne/cm):20.2

5. polarizability(10^-24cm³):10.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 69.4

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

resource:allhdi.com

1,3-dimethylnaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05ux
molecular formula	c12h12
molecular weight	156.22
label	aromatic compounds

numbering system

cas number:575-41-7

mdl number:mfcd00004036

einecs number:209-384-6

rtecs number:qj4420000

brn number:2039378

pubchem number:24862802

physical property data

1. physical property data

1. properties: liquid.

2. density (g/ml, 25/4℃): 1.0144

3. refractive index (nd20): 1.6102

4. flash point (℃): 109

5. melting point (℃): -6~-3

6. boiling point (ºc): 265.2

7. boiling point (ºc, 0.133kpa): 107

8. solubility: immiscible with water.

9. relative density (20℃, 4℃): 1.0063

10. refractive index at room temperature (n²⁵): 1.6080

11. liquid phase standard hot melt (j·mol^-1·k^-1): 284.2

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 156.0

3. isotonic specific volume (90.2k): 386.3

4. surface tension (dyne/cm): 37.5

5. polarizability (10^-24cm³): 21.30

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: 150

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. exists in oriental tobacco leaves and smoke.

storage method

1. storage

should be kept sealed in a cool place.

synthesis method

1. tobacco: or, 57.

purpose

2. use

used in organic synthesis.

resource:allhdi.com

1,3-dinitronaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	0699
molecular formula	c10h6n2os4
molecular weight	218.17
label	dinitronaphthalene, c10h6(no2)2

numbering system

cas number:606-37-1

mdl number:mfcd00003915

einecs number:210-116-5

rtecs number:qj4550800

brn number:none

pubchem number:24847821

physical property data

1. characteristics: yellow needle-shaped crystals.

2. density (g/ml,25℃） : undetermined

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

4. melting point (ºc):144- 145

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

6. boiling point (ºc, kpa):undetermined

7. refractive index (_d²⁰)：undetermined

8. flashpoint (ºc): undetermined

9. specific rotation (ºc): undetermined

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

11. vapor pressure (mmhg, ºc): 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:soluble in alcohol, insoluble in water. can be sublimated.

toxicological data

ecological data

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

1、 molar refractive index:57.18

2, molar volume (m³/mol):147.2

3、 isotonic specific volume (90.2k):422.0

4、 surface tension (dyne/cm):67.5

5, polarizability (10^-24cm³ ):22.67

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: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 91.6

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 296

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

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

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

can be sublimated. irritating. flammable.

storage method

should be sealed and stored in a cool place.

synthesis method

obtained from naphthalene through mixed acid nitration, acid separation, dehydration and drying. also available byα-preparation of nitronaphthalene, α-nitronaphthalene is dissolved in sulfuric acid, add nitric acid in 80-90℃nitrification produces dinitronaphthalene.

purpose

used as a sensitizer for ammonium nitrate explosives (the actual product is a mixture of isomers), carbide additives, and intermediates for sulfur dyes and organic synthesis.

resource:allhdi.com