Chloromethyl phenyl sulfone - CAS 7205-98-3

Catalog:	BB034528
Product Name:	Chloromethyl phenyl sulfone
CAS:	7205-98-3
Synonyms:	chloromethylsulfonylbenzene

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Computed Properties

IUPAC Name:	chloromethylsulfonylbenzene
Description:	Chloromethyl phenyl sulfone (CAS# 7205-98-3) is a useful research chemical.
Molecular Weight:	190.65
Molecular Formula:	C7H7ClO2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)CCl
InChI:	InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	NXAIQSVCXQZNRY-UHFFFAOYSA-N
Boiling Point:	130 °C / 1 mmHg
Density:	1.336 g/cm³
MDL:	MFCD00007551
LogP:	2.73740

Publication Number	Title	Priority Date
ES-2690177-A1	PROCEDURE FOR THE PREPARATION OF ENANTIOSELECTIVA DE PROFENOS Y FENIDATES (Machine-translation by Google Translate, not legally binding)	20180405
ES-2690177-B2	Procedure for the preparation of enantioselectiva de profenos y fenidatos	20180405
AU-2018277831-A1	Safener containing herbicidal oil dispersion	20170530
BR-112019020877-A2	2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE TO CONTROL THE GROWTH OF UNWANTED PLANTS	20170405
CN-110461834-A	Condensed heterocyclic compouds and composition containing it	20170323

PMID	Publication Date	Title	Journal
18512691	20080101	Reactions of nitroheteroarenes with carbanions: bridging aromatic, heteroaromatic, and vinylic electrophilicity	Chemistry (Weinheim an der Bergstrasse, Germany)
18988238	20080101	Substituent effects on the electrophilic activity of nitroarenes in reactions with carbanions	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[21124-33-4]
Ammonium diethyldithiocarbamate
[52147-97-4]
trans-β-Styrenesulfonyl chloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	199
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:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2