Structural formula
| Business number | 02EE |
|---|---|
| Molecular formula | C6H8N2O3S |
| Molecular weight | 188.20 |
| label |
Phenylhydrazine-4-sulfonic acid, phenylhydrazine sulfonate, p-Sulfophenylhydrazine, phenylhydrazine to sulfonic acid, Phenylhydrazine-4-sulfonic acid, 4-Sulfophenylhydrazine, p-Hydrazinophenylsulfonic acid |
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.
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