3,4-Dihydroxybenzenesulfonic acid

Base Information

• Chemical Name: 3,4-Dihydroxybenzenesulfonic acid
• CAS No.: 7134-09-0
• Molecular Formula: C6H6O5S
• Molecular Weight: 190.177
• DSSTox Substance ID: DTXSID00221536
• Nikkaji Number: J166.321F
• Wikidata: Q27103308
• Metabolomics Workbench ID: 51446
• Mol file: 7134-09-0.mol

Synonyms:4-sulfocatechol

Chemical Property of 3,4-Dihydroxybenzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -0.14±0.50(Predicted)
• Flash Point: °C
• PSA: 103.21000
• Density: 1.743g/cm³
• LogP: 1.42530
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.99359446
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)O)O

Technology Process of 3,4-Dihydroxybenzenesulfonic acid

There total 22 articles about 3,4-Dihydroxybenzenesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3,4-dihydroxybenzenesulfonic acid (7134-09-0)

Guidance literature:

With chlorosulfonic acid; In various solvent(s); at 0 - 20 ℃; for 14h;

DOI:10.1002/hlca.200690139

Reference yield:

benzenesulfonic acid (98-11-3) → succinic acid (110-15-6) + 3,4-dihydroxybenzenesulfonic acid (7134-09-0) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) + p-benzoquinone (106-51-4)

Guidance literature:

elektrolytische Oxydation an Platin- oder Bleidioxyd-Anoden;

Reference yield:

4-hydroxy-benzene-1,3-disulfonic acid (96-77-5) → 3,4-dihydroxybenzenesulfonic acid (7134-09-0) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9)

Guidance literature:

With potassium hydroxide; beim Schmelzen;

upstream raw materials:

p-hydoroxybenzenesulfonic acid

benzene-1,4-disulfonic acid

4-hydroxy-benzene-1,3-disulfonic acid

benzenesulfonic anhydride

Downstream raw materials:

benzene-1,2-diol

3,4-Dihydroxybenzoic acid

sulfuric acid

methylammonium carbonate

Refernces

• 1、 -. "METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS". Page/Page column 43. . Retrieved 2008/12/08.
• 2、 Cerfontain, Hans,Coenjaarts, Norbert J.,Koeberg-Telder, Ankie. "Reactions of the dihydroxybenzenes and their methyl ethers with sulfur trioxide. The effect of initial sulfation on the sulfonation product distribution". . p. 7 - 13. Retrieved 2007/10/02.