4-Chloroaniline-3-sulfonic acid
Structural formula
| Business number | 01ZG |
|---|---|
| Molecular formula | C6H6ClNO3S |
| Molecular weight | 207.64 |
| label |
2-Chloro-5-aminobenzenesulfonic acid, 4-Chloro-1-aminobenzene-3-sulfonic acid, 2-Chloro-5-aminobenzenesulfonic acid, 4-Chloro-1-aminobenzene-3-sulfonic acid, aromatic sulfur compounds |
Numbering system
CAS number:88-43-7
MDL number:MFCD00025296
EINECS number:201-830-8
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: White to light gray needle-like crystals or powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (decomposition, ºC): 280
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, easily soluble in Hot water, glacial acetic acid, insoluble in alcohol and ketones.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 45.54
2. Molar volume (cm3/mol): 126.4
3. Isotonic specific volume (90.2K ): 365.3
4. Surface tension (dyne/cm): 69.7
5. Polarizability (10-24cm3): 18.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 248
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters :0
15. Number of covalent bond units: 1
Properties and stability
Highly toxic, it can cause poisoning if inhaled or swallowed or absorbed through the skin. During the production process, attention should be paid to protective measures. Operators should wear protective equipment to prevent accidental ingestion or skin contamination.
Storage method
This product should be kept sealed and dry.
This product is a dye intermediate and is not sold as a commodity. It can be packed in plastic bags or wooden barrels or iron barrels, and stored in a cool, ventilated, dry place, protected from heat, moisture and fire. Store and transport according to regulations on toxic chemicals.
Synthesis method
It is obtained by reducing sodium 2-chloro-5-nitrobenzene sulfonate with iron powder in the presence of sulfuric acid.
Purpose
Dye intermediates. Used as reactive dye intermediate and pigment rubber red LG. Also used as raw material for other organic synthesis.
