3-Amino-4-hydroxybenzebesulfonamide 3-Amino-4-hydroxybenzebesulfonamide

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:98-32-8

MDL number:None

EINECS number:202-657-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: off-white or light brown feather-like crystals.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 195

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

6. Boiling point (ºC, kPa): Undetermined

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: Slightly soluble in water, easily soluble in acid and alkali.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.33

2. Molar volume (cm³/mol): 119.0

3. Isotonic specific volume (90.2K ): 356.1

4. Surface tension (dyne/cm): 80.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.57

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: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 5

6. Topological molecule polar surface area 115

7. Number of heavy atoms: 12

8.Surface charge: 0

9. Complexity: 246

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

This product is a sulfonamide and is toxic. When taken orally, it can cause side effects such as loss of appetite, nausea, vomiting, and diarrhea, and can have adverse effects on the liver, kidneys, etc. Toxic or highly corrosive raw materials such as o-chloronitrobenzene and chlorosulfonic acid are used in production. The reaction equipment should be sealed, operators should wear labor protection equipment, and the workshop should be well ventilated.

Storage method

Packed with an inner plastic bag, an outer woven bag, or an inner plastic bag, a middle kraft paper bag, and an outer woven bag. 25kg per bag. Handle it with care during storage and transportation, and protect it from moisture and heat. Store and transport according to regulations for flammable and toxic substances.

Synthesis method

Toluene is chlorosulfonated with chlorosulfonic acid to prepare o-toluenesulfonyl chloride and p-toluenesulfonyl chloride. Use the freezing crystallization method to separate p-toluenesulfonyl chloride (see o-toluenesulfonamide), then add ammonia water for ammoniation to obtain crude p-toluenesulfonamide, and then decolorize, filter, and acidify with activated carbon to obtain the finished product.

Purpose

Dye intermediates. Used as diazo component in the production of neutral dyes, such as neutral dark yellow GRL.