4-Hydroxy-7-anilino-2-naphthalenesulfonic 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:119-40-4

MDL number:MFCD00035714

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: blue-gray crystal. The industrial product is light gray wet material or paste.

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): Undetermined

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): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure ( kPa, ºC): 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, ethanol and cold dilute acid, insoluble to other organic solvents. Soluble in alkali solution.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 84.54

2. Molar volume (cm³/mol): 210.7

3. Isotonic specific volume (90.2K ): 620.7

4. Surface tension (dyne/cm): 75.1

5. Polarizability (10^-24cm³): 33.51

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: 3

5. Number of tautomers: 19

6. Topological molecule polar surface area 95

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 469

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

Toxic. Long-term inhalation will irritate the mucous membranes, causing symptoms such as chest tightness and shortness of breath, cough, dizziness, fatigue, numbness of the mouth and tongue, collapse, bluish nails and complexion. Operators should wear labor protection equipment, pay attention to labor protection during the production process, strengthen ventilation and wash work clothes frequently.

Storage method

None yet

Synthesis method

It is obtained by the condensation of J acid and aniline in sodium bisulfite medium. Put J acid, aniline, sodium bisulfite and sodium carbonate into water, raise the temperature to 104-106°C within 1.5 hours, keep it warm for 40 hours, and the pressure is about 0.1MPa. After keeping warm, cool to 30°C and filter. Add the filter cake to the water, raise the temperature to 80-85°C, and add concentrated sulfuric acid in a thin stream to decompose the excess sodium bisulfite to release sulfur dioxide, and keep the material liquid blue with Congo red reagent. After most of the sulfur dioxide escapes, stir for another 1 hour, cool to 30°C, filter, and wash the filter cake with saturated salt water to obtain a paste with a content of >40%, which is the product.

Purpose

Dye intermediate, used for the synthesis of azo dye direct copper green salt BTL, copper salt blue FBGL and copper salt violet BBL, etc.