3,3′-diaminobenzidine
Structural formula
| Business number | 0246 |
|---|---|
| Molecular formula | C12H14N4 |
| Molecular weight | 214.27 |
| label |
3,3′,4,4′-Diphenyltetramine, 3,3′,4,4′-tetraaminobiphenyl, 3,3′,4,4′-Biphenyltetramine, 3,3′,4,4′-Tetraaminobiphenyl, DAB, (NH2)2C6H3C6H3(NH2)2 |
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.
