4-Chloroaniline-3-sulfonic 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:88-43-7

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.