alpha-Chloro-2-methyl-3-nitrotoluene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8ClNO2
Molecular Weight	185.608
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of alpha-Chloro-2-methyl-3-nitrotoluene

Structure Search

SMILES

CC1=C(CCl)C=CC=C1[N+]([O-])=O

InChI

InChIKey=XZNDXQGZPOZITR-UHFFFAOYSA-N

InChI=1S/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8ClNO2
Molecular Weight	185.608
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 19:02:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:02:17 GMT 2025`
Record UNII	9F9H65R9XM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

alpha-Chloro-2-methyl-3-nitrotoluene

Systematic Name

English

2-Methyl-3-nitrobenzyl chloride

Preferred Name

English

Benzene, 1-(chloromethyl)-2-methyl-3-nitro-

Systematic Name

English

1-(Chloromethyl)-2-methyl-3-nitrobenzene

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40209212

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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PUBCHEM

108947

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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FDA UNII

9F9H65R9XM

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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ECHA (EC/EINECS)

262-249-3

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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CAS

60468-54-4

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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