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.
