p-phenylenediamine orthosulfonic acid
Structural formula
| Business number | 01ZJ |
|---|---|
| Molecular formula | C6H8N2O3S |
| Molecular weight | 188.20 |
| label |
2,5-diaminobenzenesulfonic acid, p-phenylenediamine orthosulfonate, 2,5-Diaminobenzenesulfonic acid, (H2N)2C6H3SO3H |
Numbering system
CAS number:88-45-9
MDL number:MFCD00007904
EINECS number:201-832-9
RTECS number:DB5900100
BRN number:2970398
PubChem number:24859686
Physical property data
1. Properties: Gray crystal powder
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC): 298-300
5. Boiling point (ºC, normal pressure): 500
6 . Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9 . Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility : Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 44.33
2. Molar volume (cm3/mol): 116.7
3. Isotonic specific volume (90.2K ): 356.1
4. Surface tension (dyne/cm): 86.5
5. Polarizability (10-24cm3): 17.57
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 115
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 246
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
This product should be kept sealed and dry.
Synthesis method
None
Purpose
Used as hair dye intermediate