o-Anisidine-4-sulfonic acid o-Anisidine-5-sulfonic Acid
Structural formula
| Business number | 02DU |
|---|---|
| Molecular formula | C7H9NO4S |
| Molecular weight | 203.22 |
| label |
3-amino-4-methoxybenzenesulfonic acid, 2-Methoxyaniline-5-sulfonic acid, H2NC6H3(OCH3)SO3H, 2-Methoxyaniline-5-sulfonic acid, 3-Amino-4-methoxybenzenesulfonic acid, 4-Methoxymetanilic acid, o-Anisidine-4-sulfonic acid |
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.
