Structural formula
| Business number | 01ZA |
|---|---|
| Molecular formula | C6H6ClNO4S |
| Molecular weight | 223.63 |
| label |
3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, 4-Chloro-2-aminophenol-6-sulfonic acid, 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid |
Numbering system
CAS number:88-23-3
MDL number:MFCD00035768
EINECS number:201-813-5
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: light red powdery solid.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Not determined
5. Boiling point (ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Not determined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 47.07
2. Molar volume (cm3/mol): 124.8
3. Isotonic specific volume (90.2K ): 380.5
4. Surface tension (dyne/cm): 86.2
5. Polarizability (10-24cm3): 18.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 5
6. Topological molecule polar surface area 109
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 275
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.The number of uncertain chemical bond stereocenters: 0
15. The number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be kept sealed.
Synthesis method
None yet
Purpose
Intermediate for reactive dyes and mordant dyes.
