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

p>

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.