3,3′-diaminobenzidine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:91-95-2

mdl number:mfcd00007725

einecs number:202-110-6

rtecs number:dv8750000

brn number:1212988

pubchem number:24894175

physical property data

1. properties: gray to yellow-brown flaky crystals or crystalline powder. the color gradually darkens in the air.

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

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

4. melting point (ºc): 176-180

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

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

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined determined

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

11. vapor pressure (kpa, 25ºc): not determined

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 hot water and hot ethanol.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 67.78

2. molar volume (cm³/mol): 163.8

3. isotonic specific volume (90.2k ): 483.9

4. surface tension (dyne/cm): 76.1

5. polarizability (10-24cm3): 26.87

compute chemical data

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

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. extension�molecular polar surface area 104

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 209

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

none yet

storage method

this product should be stored in a sealed, cool place and away from light.

synthesis method

(1) 3,3`-dichlorobenzidine is used as raw material and reacts with ammonia under the action of copper catalyst; (2) benzidine is used as raw material and reacts with acetic acid to generate biphenyl diethylamide, which is then reacted with nitric acid the reaction generates 3,3`-dinitrobiphenyl diethylamide, which is hydrolyzed in a sulfuric acid aqueous solution to generate 3,3`-dinitrobenzidine, which is finally reduced with sodium sulfide or reduced by catalytic hydrogenation.

purpose

react and polymerize with aromatic dicarboxylic acid to generate polycyclic polymer polybenzimidazole; react with aromatic dicarboxylic anhydride to generate ladder polymer polybenzimidazole pyrrolidone, etc.