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4-Chlorophenyl methyl sulfone

4-Chlorophenyl methyl sulfone - CAS 98-57-7

Catalog:	BB042191
Product Name:	4-Chlorophenyl methyl sulfone
CAS:	98-57-7
Synonyms:	1-chloro-4-methylsulfonylbenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-chloro-4-methylsulfonylbenzene
Description:	4-Chlorophenyl methyl sulfone (CAS# 98-57-7) is a useful research chemical.
Molecular Weight:	190.65
Molecular Formula:	C7H7ClO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:	LMCOQDVJBWVNNI-UHFFFAOYSA-N
Boiling Point:	60 °C / 30 mmHg
Purity:	> 98.0 % (GC)
Density:	1.383 g/cm³
Appearance:	Off-white crystalline powder
MDL:	MFCD00025067
LogP:	2.82430

Publication Number	Title	Priority Date
CN-112358425-A	Method for synthesizing aryl alkyl sulfone compound by oxidizing aryl alkyl thioether compound under promotion of visible light	20201119
CN-110803977-A	Method for preparing monofluoroalkyl substituted aromatic compound through reduction coupling	20191111
GB-2592341-A	Electrode compositions	20191016
WO-2021074406-A1	Electrode compositions	20191016
WO-2021067458-A1	Protein-macromolecule conjugates and methods of use thereof	20190930

PMID	Publication Date	Title	Journal
15470701	20050101	Determination of the sulphoxides and sulphones of three simple sulphides in rat urine: effects of phenobarbitone, beta-naphthoflavone and methimazole	Biomedical chromatography : BMC
11516914	20011101	LC determination of rofecoxib in bulk and pharmaceutical formulations	Journal of pharmaceutical and biomedical analysis

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Related Functional Groups

Halides

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9855283
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9855283
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1