o-Anisidine-4-sulfonic acid o-Anisidine-5-sulfonic 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:98-42-0

MDL number:MFCD00035759

EINECS number:202-667-5

RTECS number:None

BRN number:None

PubChem number:24849653

Physical property data

1. Properties: White crystal, no pungent odor.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 305

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 40ºC): Not determined

12. Saturated vapor pressure (kPa , 20ºC): 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) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in sodium carbonate, slightly soluble in water, soluble in ethanol .

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.08

2. Molar volume (cm³/mol): 138.4

3. Isotonic specific volume (90.2K ): 386.8

4. Surface tension (dyne/cm): 60.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 18.66

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 2

3. Hydrogen bondsNumber of receptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecule polar surface area (TPSA): 89.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 258

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

It is an important intermediate for direct, reactive and metal complex dyes.