2-Amino-5-methylbenzenesulfonic acid
Structural formula
| Business number | 01ZH |
|---|---|
| Molecular formula | C7H9NO3S |
| Molecular weight | 187.22 |
| label |
4-Aminotoluene-3-sulfonic acid, 2-amino-5-methylbenzenesulfonic acid, 3-Methyl-6-aminobenzenesulfonic acid, 4-Aminotoluene-3-sulfonic acid, 4-Methylaniline-2-sulfonic acid, H2NC6H3(CH3)SO3H |
Numbering system
CAS number:88-44-8
MDL number:MFCD00007908
EINECS number:201-831-3
RTECS number:XT6320000
BRN number:2211509
PubChem number:24853086
Physical property data
1. Character: white crystal
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
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: It decomposes when exposed to water at 130°C and dissolves in 214 parts of water at 20°C. Adding lead dioxide to the aqueous solution turns red. Corrosive.
Toxicological data
None yet
Ecological data
None yet
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): 0.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6.Topological molecule polar surface area 88.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 244
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be kept sealed and dry.
Synthesis method
Use p-toluidine as raw material, react with sulfuric acid, and then bake and transpose at high temperature to obtain a crude product, which can then be refined to obtain a finished product; or It is obtained by translocation sulfonation in the presence of organic solvents. The solvent method process route is reasonable, the solvent recovery rate is high, the product quality is good (purity reaches 98.5%), and the yield is 90% Above.
Purpose
Dye intermediates. 4B acid and 2, 3- acid Coupling can produce Pigment Red6B, Risoloba RedBK; and 2-naphthol coupling can produce the pigment yellow light redBL. These pigments are widely used in the coloring of inks, plastics, rubber, wires and cables, daily chemicals and other products.