2-Amino-5-methylbenzenesulfonic 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:88-44-8

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.