2,4-DIMETHYLBENZONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9N
Molecular Weight	131.1745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-DIMETHYLBENZONITRILE

Structure Search

SMILES

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

InChI

InChIKey=QLZDTHTXOUOSCV-UHFFFAOYSA-N

InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9N
Molecular Weight	131.1745
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 `Mon Mar 31 19:48:08 GMT 2025` Edited by `admin` on `Mon Mar 31 19:48:08 GMT 2025`
Record UNII	Y98DL78H3C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZONITRILE, 2,4-DIMETHYL-

Preferred Name

English

2,4-DIMETHYLBENZONITRILE

Systematic Name

English

Code System Code Type Description

CAS

21789-36-6

Created by admin on Mon Mar 31 19:48:08 GMT 2025 , Edited by admin on Mon Mar 31 19:48:08 GMT 2025

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PUBCHEM

89046

Created by admin on Mon Mar 31 19:48:08 GMT 2025 , Edited by admin on Mon Mar 31 19:48:08 GMT 2025

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EPA CompTox

DTXSID40176197

Created by admin on Mon Mar 31 19:48:08 GMT 2025 , Edited by admin on Mon Mar 31 19:48:08 GMT 2025

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FDA UNII

Y98DL78H3C

Created by admin on Mon Mar 31 19:48:08 GMT 2025 , Edited by admin on Mon Mar 31 19:48:08 GMT 2025

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ECHA (EC/EINECS)

244-580-5

Created by admin on Mon Mar 31 19:48:08 GMT 2025 , Edited by admin on Mon Mar 31 19:48:08 GMT 2025

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