4-Hydrazinobenzenesulfonic Acid 4-Hydrazinobenzenesulfonic 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:98-71-5

MDL number:MFCD00025097

EINECS number:202-694-2

RTECS number:DB6900000

BRN number:None

PubChem number:24847366

Physical property data

1. Character: needle-like or leaf-like crystal.

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): 286

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

6. Boiling point (ºC, 14mmHg): 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 , 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: Soluble in boiling water, slightly soluble in ethanol, ether, slightly soluble in water.

Toxicological data

Acute toxicity: Rat oral LDL0: 500mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 44.37

2. Molar volume (cm³/mol): 118.8

3. Isotonic specific volume (90.2K ): 356.4

4. Surface tension (dyne/cm): 80.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -2.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. InterconversionNumber of isomers: None

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 12

8. Surface charge: 0

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9. Complexity: 226

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12 .The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Store in a dry and ventilated warehouse to prevent moisture and heat.

Synthesis method

Use sodium p-aminobenzene sulfonate as raw material, mix it with water and 30% hydrochloric acid, and cool to 2°C. Then add sodium nitrite solution dropwise at 0-5°C to diazotize sodium p-aminobenzene sulfonate. Add the above diazo liquid to the mixed solution of sodium hydroxide solution and sodium bisulfite, control the adding temperature at 80-85°C, and maintain the pH value at 6.2-6.7. After the addition is completed, continue stirring for 1.5 hours, then add zinc powder and diatomaceous earth, stir and filter. The reaction product is treated with acid to obtain phenylhydrazine-4-sulfonic acid.

Purpose

Dye intermediates. It is used to prepare 1-(4’-sulfophenyl)-3-methyl-5-pyrazolone and food coloring tartrazine, and is also used as a dye resist for ice dyeing.