Synonym: 2,3,4,5,6-Pentafluorophenylsulfonyl chloride; Perfluorobenzenesulfonyl chloride
CAS Number: 832-53-1
Empirical Formula (Hill Notation): C6ClF5O2S
Molecular Weight: 266.57
EC Number: 212-620-0
MDL Number: MFCD00007427
Linear Formula: C6F5SO2Cl
Product Type: Chemical
FT-NMR Spectra for Pentafluorobenzenesulfonyl chloride, provided for identity/quality confirmation. View and download full spectra PDF under Documentation > More Documents.
FT-IR
Raman Spectra for Pentafluorobenzenesulfonyl chloride, provided for
identity/quality confirmation. View and download full spectra PDF under
Documentation > More Documents.
ATR-IR
Spectra for Pentafluorobenzenesulfonyl chloride, provided for
identity/quality confirmation. View and download full spectra PDF under
Documentation > More Documents.
FT-IR
Condensed Phase Spectra for Pentafluorobenzenesulfonyl chloride, provided for
identity/quality confirmation. View and download full spectra PDF under
Documentation > More Documents.
| assay |
99% |
| bp |
210-211 °C (lit.) |
| density |
1.796 g/mL at 25 °C (lit.) |
| form |
solid |
| functional group |
chloro |
| |
fluoro |
| InChI |
1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12 |
| InChI key |
UOJCTEGNHXRPKO-UHFFFAOYSA-N |
| Quality Level |
200  |
| refractive index |
n20/D 1.479 (lit.) |
| SMILES string |
Fc1c(F)c(F)c(c(F)c1F)S(Cl)(=O)=O |
| 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. Pentafluorobenzenesulfonyl chloride was used for electrophore labeling of small tyrosyl peptides for their analysis by gas chromatography with electron-capture detection. |
| 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. |
| General description: |
Pentafluorobenzenesulfonyl chloride reacts with benzene and thiophene derivatives in the presence of a ruthenium (II) catalyst to form corresponding perfluorophenylated compounds. |
| Packaging: |
5, 25 g in ampule |
| Purity |
99% |
| bp |
210-211 °C (lit.) |
| Density |
1.796 g/mL at 25 °C (lit.) |
| Refractive Index |
n20/D 1.479 (lit.) |
| UNSPSC |
12352100 |