4-Chloro-2,5-dimethylbenzenesulfonyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8Cl2O2S
Molecular Weight	239.119
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Chloro-2,5-dimethylbenzenesulfonyl chloride

Structure Search

SMILES

CC1=CC(=C(C)C=C1Cl)S(Cl)(=O)=O

InChI

InChIKey=JBYZPUBAISWVDI-UHFFFAOYSA-N

InChI=1S/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H8Cl2O2S
Molecular Weight	239.119
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:39:15 GMT 2025` Edited by `admin` on `Tue Apr 01 17:39:15 GMT 2025`
Record UNII	FY2BCA5XT7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Chloro-2,5-dimethylbenzenesulfonyl chloride

Systematic Name

English

5-Chloro-p-xylene-2-sulfonyl chloride

Preferred Name

English

Benzenesulfonyl chloride, 4-chloro-2,5-dimethyl-

Systematic Name

English

Code System Code Type Description

PUBCHEM

66618

Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025

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FDA UNII

FY2BCA5XT7

Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025

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CAS

88-49-3

Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025

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EPA CompTox

DTXSID80236749

Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025

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ECHA (EC/EINECS)

201-835-5

Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025

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