4-Fluorobenzenesulphonic acid

Base Information

• Chemical Name: 4-Fluorobenzenesulphonic acid
• CAS No.: 368-88-7
• Molecular Formula: C6H5FO3S
• Molecular Weight: 176.168
• Hs Code.: 2904909090
• European Community (EC) Number: 206-714-0
• NSC Number: 43021
• DSSTox Substance ID: DTXSID80190276
• Nikkaji Number: J213.556F
• Wikidata: Q18472735
• Mol file: 368-88-7.mol

Synonyms:4-fluorobenzenesulfonic acid;368-88-7;4-Fluorobenzenesulphonic acid;4-Fluoro-benzenesulfonic acid;Benzenesulfonic acid, 4-fluoro-;EINECS 206-714-0;MFCD06658253;4-FluorobenzenesulphonicAcid;p-Fluorobenzenesulfonic acid;NONYLACRIDINEORANGE;SCHEMBL66196;4-fluoro-benzene-sulfonic acid;DTXSID80190276;NSC43021;NSC 43021;NSC-43021;AKOS015888173;AM100730;AS-31251;SY005790;CS-0187013;FT-0601446;A823440;Q18472735;4-Fluorobenzenesulphonic Acid

Chemical Property of 4-Fluorobenzenesulphonic acid

Chemical Property:

• Melting Point: 87℃
• PKA: -0.66±0.50(Predicted)
• PSA: 62.75000
• Density: 1.513 g/cm³
• LogP: 2.15320
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 434.9g/L(21.3 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.99434335
• Heavy Atom Count: 11
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

4-FluorobenzenesulphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)S(=O)(=O)O
• Uses: 4-Fluorobenzenesulphonic Acid is used as a reactant in the synthesis of HCV inhibitors based on thiazolone scaffold.

Technology Process of 4-Fluorobenzenesulphonic acid

There total 18 articles about 4-Fluorobenzenesulphonic 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: 100.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) → 4-fluorobenzenesulfonic acid (368-88-7)

Guidance literature:

With water; In 1,4-dioxane; for 6h; Reflux;

DOI:10.1021/acs.orglett.1c00994

Reference yield: 94.0%

4-Fluorothiophenol (371-42-6) → 4-fluorobenzenesulfonic acid (368-88-7)

Guidance literature:

With dihydrogen peroxide; trichlorophosphate; In water; at 80 ℃; for 1.08333h; Micellar solution;

DOI:10.1055/s-0031-1289628

Reference yield: 92.0%

bis(4-fluorophenyl)disulfide (405-31-2) → 4-fluorobenzenesulfonic acid (368-88-7)

Guidance literature:

With dihydrogen peroxide; trichlorophosphate; In water; at 80 ℃; for 1h; Micellar solution;

DOI:10.1055/s-0031-1289628

upstream raw materials:

fluorobenzene

4-Fluorobenzenesulfonyl chloride

4-Fluorothiophenol

Fluorbenzol-3-sulfonsaeure

Downstream raw materials:

fluorobenzene

Fluorbenzol-3-sulfonsaeure

2-fluorobenzenesulfonic acid

bis(p-fluorophenyl)sulfone