p-phenylenediamine orthosulfonic acid

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: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