103764

Pentafluorobenzenesulfonyl chloride

99%

• Synonym(s): 2,3,4,5,6-Pentafluorophenylsulfonyl chloride, Perfluorobenzenesulfonyl chloride
• Linear Formula: C₆F₅SO₂Cl
• CAS Number: 832-53-1
• Molecular Weight: 266.57
• Beilstein/REAXYS Number: 2142325
• EC Number: 212-620-0
• MDL number: MFCD00007427
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846621
• NACRES: NA.22

Properties

• assay: 99%
• form: solid
• refractive index: n20/D 1.479 (lit.)
• bp: 210-211 °C (lit.)
• density: 1.796 g/mL at 25 °C (lit.)
• functional group: chloro; fluoro
• SMILES string: Fc1c(F)c(F)c(c(F)c1F)S(Cl)(=O)=O
• InChI: 1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
• InChI key: UOJCTEGNHXRPKO-UHFFFAOYSA-N

Description

General description

Pentafluorobenzenesulfonyl chloride reacts with benzene and thiophene derivatives in the presence of a ruthenium (II) catalyst to form corresponding perfluorophenylated compounds[1].

Application

Pentafluorobenzenesulfonyl chloride was used as derivatizing reagent for simultaneous determination of fluoxetine and p-trifluoromethylphenol, an O-dealkylated metabolite of fluoxetine in human liver microsomes[2]. Pentafluorobenzenesulfonyl chloride was used for electrophore labeling of small tyrosyl peptides for their analysis by gas chromatography with electron-capture detection[3].

Biochem/physiol Actions

Pentafluorobenzenesulfonyl chloride is derivatizing reagent for amphetamine in determination of amphetamine in human plasma samples using gas chromatography with electron-capture detectio[4].

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 194.0 °F - closed cup
• flash_point_c: 90 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges