5-amino-2-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:118-88-7

MDL number:None

EINECS number:204-282-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: light brown SPAN>Crystalline powder.

2. Density (g/mL,25℃): 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,kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,25ºC): Undetermined

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

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

/mol):130.7

3、 Isotonic specific volume (90.2K) ：366.4

4, Surface Tension (dyne/cm):61.7

5、 Polarizability (10^-24cm³):17.97

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

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. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides and moisture.

Storage method

Save in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidants, fire sources, and water sources.

Synthesis method

None yet

Purpose

Mainly used as an additive and blue phase regulator when synthesizing pigment red 57#.

>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

Avoid contact with oxides and moisture.

Storage method

Save in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidants, fire sources, and water sources.

Synthesis method

None yet

Purpose

Mainly used as an additive and blue phase regulator when synthesizing pigment red 57#.