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Merck
CN

103764

Pentafluorobenzenesulfonyl chloride

99%

Synonym(s):

2,3,4,5,6-Pentafluorophenylsulfonyl chloride, Perfluorobenzenesulfonyl chloride

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About This Item

Linear Formula:
C6F5SO2Cl
CAS Number:
832-53-1
Molecular Weight:
266.57
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846621
EC Number:
212-620-0
Beilstein/REAXYS Number:
2142325
MDL number:
MFCD00007427

Key Documents

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Product Name

Pentafluorobenzenesulfonyl chloride, 99%

Quality Level

200

functional group

fluoro
chloro

InChI key

UOJCTEGNHXRPKO-UHFFFAOYSA-N

InChI

1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12

SMILES string

Fc1c(F)c(F)c(c(F)c1F)S(Cl)(=O)=O

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.)

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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.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK5702
BCCK9923
BCCH5670
BCCB7949
BCBW5597

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G B Baker et al.
Journal of chromatography, 381(2), 211-217 (1986-09-05)
A gas chromatographic procedure is described for the analysis of beta-phenylethylamine (PEA) in tissues and body fluids. The method involves the use of pentafluorobenzenesulfonyl chloride for extraction and derivatization of PEA. This is followed by separation and analysis of the
Perfluorophenylation of aromatic and heteroaromatic compounds with pentafluorobenzenesulfonyl chloride catalyzed by a ruthenium (II) phosphine complex.
Kamigata N, et al.
Journal of Fluorine Chemistry, 87(1), 91-95 (1998)
Pentafluorobenzenesulfonyl chloride as a sensitive reagent for the rapid gas chromatographic analysis of tranylcypromine in tissues and body fluids.
T S Rao et al.
Biochemical pharmacology, 35(12), 1925-1928 (1986-06-15)
S J Asghar et al.
Journal of pharmacological and toxicological methods, 46(2), 111-115 (2002-12-17)
Acute administration of (+)-amphetamine has been used as a model for mania in humans since it mimics the physiological, biochemical, and cognitive effects seen in mania. A rapid and sensitive method for the determination of amphetamine in human plasma samples
Pentafluorobenzenesulfonyl chloride: a new electrophoric derivatizing reagent with application to tyrosyl peptide determination by gas chromatography with electron capture detection.
A Sentissi et al.
Analytical chemistry, 56(13), 2512-2517 (1984-11-01)
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