2,5-disulfonic acid aniline Aniline-2,5-disulfonic 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:98-44-2

MDL number:MFCD00035753

EINECS number:202-669-6

RTECS number:CZ9250000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Yellow crystal.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC):>300

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, kPa): Undetermined

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7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 40ºC): Not determined

12. Saturated vapor pressure ( kPa, 20ºC): 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) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in water and ethanol.

Toxicological data

Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 100mg/24HREACTION SEVERITY, moderate reaction;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 51.06

2. Molar volume (cm³/mol): 137.2

3. Isotonic specific volume (90.2K ): 423.1

4. Dielectric constant:

5. Dipole moment (10^-24cm³):

6. Polarizability: 20.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 152

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 416

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 strong oxidizing agents.

Toxic and irritating to the skin, care should be taken to avoid inhalation or swallowing during operation. Operators should wear protective equipment to avoid contact with skin. Rat oral administration: LD507760mg/kg.
　

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills. 2. Packed in wooden barrels lined with plastic bags. 50kg per barrel. Store in a cool, ventilated, dry place, protected from heat, fire and moisture. Store and transport according to regulations on toxic chemicals.

Synthesis method

It is obtained by sulfonating m-aminobenzene sulfonic acid with fuming sulfuric acid, then cooling, diluting with water, adding activated carbon at elevated temperature, stirring at 95°C for decolorization, filtering, and salting out by adding salt to the filtrate. Raw material consumption quota: m-aminobenzenesulfonic acid (industrial product) 715kg/t, fuming sulfuric acid (SO320%) 2810kg/t, refined salt (industrial product) 1273kg/t, activated carbon 22kg/t.

Purpose

Used as a dye intermediate, mainly used in the manufacture of direct lightfast blue RGL, reactive emerald blue KGL, reactive bright yellow and reactive orange, etc.