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
