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549037

Sigma-Aldrich

4-Chlorophenyl methyl sulfone

98%

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About This Item

Linear Formula:
ClC6H4SO2CH3
CAS Number:
Molecular Weight:
190.65
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

mp

95-98 °C (lit.)

SMILES string

CS(=O)(=O)c1ccc(Cl)cc1

InChI

1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

InChI key

LMCOQDVJBWVNNI-UHFFFAOYSA-N

General description

4-Chlorophenyl methyl sulfone (CPMSO2) is a sulfone analog of 4-chlorophenyl methyl sulfide. It is used as an intermediate for preparing sulfur-containing xenobiotics.

Application

4-Chlorophenyl methyl sulfone may be used in the preparation of 4-(methylsulfonyl)aniline by reacting with ammonia. It may also be used as a standard during the quantification of 4-chlorophenyl methyl sulphide by HPLC in rat liver microsomes.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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New sulfonyl-containing materials for nonlinear optics: semiempirical calculations, synthesis, and properties.
Ulman A, et al.
Journal of the American Chemical Society, 112(20), 7083-7090 (1990)
Metabolism of 4-chlorophenyl methyl sulfide and its sulfone analog in cattle and sheep.
D D Oehler et al.
Archives of environmental contamination and toxicology, 12(2), 227-233 (1983-03-01)
Ivo P Nnane et al.
Journal of pharmaceutical and biomedical analysis, 27(1-2), 315-325 (2001-10-30)
Simple high performance liquid chromatography (HPLC) methods for the analysis of 4-chlorophenyl methyl sulphide (CPMS), diphenyl sulphide (DPS) and their corresponding sulphoxide and sulphone metabolites in rat liver microsomes are described. The assay methods are based on a reversed phase

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