4-Chloro-3-nitrotoluene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6ClNO2
Molecular Weight	171.581
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Chloro-3-nitrotoluene

Structure Search

SMILES

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

InChI

InChIKey=NWESJZZPAJGHRZ-UHFFFAOYSA-N

InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H6ClNO2
Molecular Weight	171.581
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 18:52:52 GMT 2025` Edited by `admin` on `Tue Apr 01 18:52:52 GMT 2025`
Record UNII	JF8MPL73NZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-60721

Preferred Name

English

4-Chloro-3-nitrotoluene

Systematic Name

English

Benzene, 1-chloro-4-methyl-2-nitro-

Systematic Name

English

1-Chloro-4-methyl-2-nitrobenzene

Systematic Name

English

Code System Code Type Description

CAS

89-60-1

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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PUBCHEM

6976

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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FDA UNII

JF8MPL73NZ

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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NSC

60721

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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EPA CompTox

DTXSID9058995

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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ECHA (EC/EINECS)

201-922-8

Created by admin on Tue Apr 01 18:52:52 GMT 2025 , Edited by admin on Tue Apr 01 18:52:52 GMT 2025

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