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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
Assay:
99%
Form:
solid

Key Documents

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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.)

Related Categories

General description

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

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.

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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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)
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 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)
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)
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
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