4-Hydroxybenzenesulfonic acid

Base Information

• Chemical Name: 4-Hydroxybenzenesulfonic acid
• CAS No.: 98-67-9
• Molecular Formula: C6H6O4S
• Molecular Weight: 174.177
• Hs Code.: 29089990
• European Community (EC) Number: 202-691-6
• NSC Number: 227908
• UN Number: 1803
• UNII: L74LRO149A
• DSSTox Substance ID: DTXSID1046421
• Nikkaji Number: J4.956E
• Wikidata: Q1534677
• RXCUI: 1651701
• Metabolomics Workbench ID: 54540
• ChEMBL ID: CHEMBL1398657
• Mol file: 98-67-9.mol

Synonyms:4-phenolsulfonic acid;para-phenolsulfonic acid

Chemical Property of 4-Hydroxybenzenesulfonic acid

Chemical Property:

• Appearance/Colour: yellowish oily liquid
• Vapor Pressure: 69.8Pa at 20℃
• Melting Point: 50(分解)oC
• Refractive Index: n20/D 1.489
• Boiling Point: 275.14°C (rough estimate)
• PKA: 9.11(at 25℃)
• PSA: 82.98000
• Density: 1.574 g/cm³
• LogP: 1.71970
• Water Solubility.: Soluble in water.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.99867984
• Heavy Atom Count: 11
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

4-HydroxybenzenesulfonicAcid(85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-68
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)O
• Uses: 4-Hydroxybenzenesulfonic Acid is used as a redox-mediator in the laccase-catalyzed degradation of indigo, a textile dye. Also used in oilfield chemicals, metal working, and as a polymerization catalyst.

Technology Process of 4-Hydroxybenzenesulfonic acid

There total 64 articles about 4-Hydroxybenzenesulfonic 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:

methyl orange → p-hydoroxybenzenesulfonic acid (98-67-9) + 4-(N,N-dimethylamino)phenol (619-60-3) + hydroquinone (123-31-9,8027-02-9) + p-benzoquinone (106-51-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With iron(III) chloride; Ammonium iron sulfate; dihydrogen peroxide; In methanol; pH=2.2; pH-value; Concentration; Reagent/catalyst; Kinetics; Irradiation;

DOI:10.2478/s11696-010-0011-0

Reference yield:

4-Hydroxy-benzenesulfonic acid 2,4-dinitro-phenyl ester (181637-02-5) → 2,4-Dinitrophenol (51-28-5) + p-hydoroxybenzenesulfonic acid (98-67-9)

Guidance literature:

With water; at 60 ℃; Rate constant; μ = 1.0, pH 5.7-13.0;

DOI:10.1021/jo961024k

Reference yield:

(S)-nitryloxy-succinic acid (13358-63-9) → Oxalacetic acid (328-42-7) + p-hydoroxybenzenesulfonic acid (98-67-9)

Guidance literature:

at 100 ℃; Geschwindigkeit;

upstream raw materials:

ethanol

2-hydroxy-5-sulfo-benzenediazonium-betaine

4-sulfobenzenediazonium

4-diazobenzenesulfonic acid

Downstream raw materials:

2,4-Dinitrophenol

4-hydroxy-3,5-dinitro-benzenesulfonic acid

para-dichlorobenzene

2,4-dichloro-6-nitrophenol