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.