2-CHLORO-3-NITROTOLUENE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

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 2-CHLORO-3-NITROTOLUENE

Structure Search

SMILES

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

InChI

InChIKey=XTSGZXRUCAWXKY-UHFFFAOYSA-N

InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)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 18:29:44 GMT 2025` Edited by `admin` on `Tue Apr 01 18:29:44 GMT 2025`
Record UNII	4D4MB5FE9P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-87550

Preferred Name

English

2-CHLORO-3-NITROTOLUENE

Systematic Name

English

2-CHLORO-3-METHYLNITROBENZENE

Common Name

English

2-CHLORO-1-METHYL-3-NITROBENZENE

Systematic Name

English

BENZENE, 2-CHLORO-1-METHYL-3-NITRO-

Systematic Name

English

Code System Code Type Description

NSC

87550

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY

CAS

3970-40-9

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY

FDA UNII

4D4MB5FE9P

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY

ECHA (EC/EINECS)

223-591-9

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY

PUBCHEM

77591

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY

EPA CompTox

DTXSID90192786

Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025

PRIMARY