Pentafluorobenzenesulfonyl chloride - CAS 832-53-1

Catalog:	BB036992
Product Name:	Pentafluorobenzenesulfonyl chloride
CAS:	832-53-1
Synonyms:	2,3,4,5,6-pentafluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,4,5,6-pentafluorobenzenesulfonyl chloride
Description:	Pentafluorobenzenesulfonyl chloride (CAS# 832-53-1) is a useful research chemical.
Molecular Weight:	266.57
Molecular Formula:	C6ClF5O2S
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F
InChI:	InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
InChI Key:	UOJCTEGNHXRPKO-UHFFFAOYSA-N
Boiling Point:	210-211 °C
Density:	1.79 g/cm³
Appearance:	Clear colourless to light yellow liquid
MDL:	MFCD00007427
LogP:	3.39040

Publication Number	Title	Priority Date
JP-2021148934-A	Photosensitive compositions, cured products, color filters, solid-state image sensors, image display devices, and compounds	20200318
WO-2021178841-A1	Heterocycle containing stat inhibitors and compositions	20200305
WO-2021178857-A1	Alpha substituted stat inhibitors and compositions thereof	20200305
WO-2021178907-A1	Stat inhibitory compounds and compositions	20200305
WO-2021099842-A1	Pentafluorobenzenesulfonamide derivatives and uses thereof	20191122

PMID	Publication Date	Title	Journal
16087356	20051101	A rapid, sensitive electron-capture gas chromatographic procedure for analysis of metabolites of N-methyl,N-propargylphenylethylamine, a potential neuroprotective agent	Journal of pharmacological and toxicological methods
11996496	20020405	Simultaneous determination of fluoxetine and its metabolite p-trifluoromethylphenol in human liver microsomes using a gas chromatographic-electron-capture detection procedure	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
12481848	20010901	A rapid method of determining amphetamine in plasma samples using pentafluorobenzenesulfonyl chloride and electron-capture gas chromatography	Journal of pharmacological and toxicological methods

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Related Functional Groups

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Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.9227689
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.9227689
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9