5-amino-2-methylbenzenesulfonic acid
Structural formula
| Business number | 03A9 |
|---|---|
| Molecular formula | C7H9NO3S |
| Molecular weight | 187.22 |
| label |
4-Aminotoluene-2-sulfonic acid, 2-Methyl-5-aminobenzenesulfonic acid, p-Toluidine-3-sulfonic acid, 4-methylaniline-3-sulfonic acid, 5-amino-2-methylbenzenesulfonic acid, 5-amino-o-toluenesulfonic acid, additive, blue phase modifier |
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#.