3-Chloro-4-methylbenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6ClN
Molecular Weight	151.593
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Chloro-4-methylbenzonitrile

Structure Search

SMILES

CC1=C(Cl)C=C(C=C1)C#N

InChI

InChIKey=INEMHABDFCKBID-UHFFFAOYSA-N

InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6ClN
Molecular Weight	151.593
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 19:16:10 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:10 GMT 2025`
Record UNII	9NV76ZQA7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-4-methylbenzonitrile

Systematic Name

English

3-Chloro-p-toluonitrile

Preferred Name

English

Benzonitrile, 3-chloro-4-methyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

244-381-3

Created by admin on Tue Apr 01 19:16:10 GMT 2025 , Edited by admin on Tue Apr 01 19:16:10 GMT 2025

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EPA CompTox

DTXSID50175696

Created by admin on Tue Apr 01 19:16:10 GMT 2025 , Edited by admin on Tue Apr 01 19:16:10 GMT 2025

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FDA UNII

9NV76ZQA7A

Created by admin on Tue Apr 01 19:16:10 GMT 2025 , Edited by admin on Tue Apr 01 19:16:10 GMT 2025

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CAS

21423-81-4

Created by admin on Tue Apr 01 19:16:10 GMT 2025 , Edited by admin on Tue Apr 01 19:16:10 GMT 2025

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PUBCHEM

88894

Created by admin on Tue Apr 01 19:16:10 GMT 2025 , Edited by admin on Tue Apr 01 19:16:10 GMT 2025

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