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