6-NITRO-2-TOLUONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-NITRO-2-TOLUONITRILE

Structure Search

SMILES

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

InChI

InChIKey=BOTPDHNZLRJZOO-UHFFFAOYSA-N

InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
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 19:10:44 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:44 GMT 2025`
Record UNII	GT87Y8H8FY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

6-NITRO-2-TOLUONITRILE

Systematic Name

English

O-TOLUNITRILE, 6-NITRO-

Preferred Name

English

2-METHYL-6-NITROBENZONITRILE

Systematic Name

English

BENZONITRILE, 2-METHYL-6-NITRO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90172205

Created by admin on Tue Apr 01 19:10:44 GMT 2025 , Edited by admin on Tue Apr 01 19:10:44 GMT 2025

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FDA UNII

GT87Y8H8FY

Created by admin on Tue Apr 01 19:10:44 GMT 2025 , Edited by admin on Tue Apr 01 19:10:44 GMT 2025

PRIMARY

CAS

1885-76-3

Created by admin on Tue Apr 01 19:10:44 GMT 2025 , Edited by admin on Tue Apr 01 19:10:44 GMT 2025

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PUBCHEM

74669

Created by admin on Tue Apr 01 19:10:44 GMT 2025 , Edited by admin on Tue Apr 01 19:10:44 GMT 2025

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ECHA (EC/EINECS)

217-553-0

Created by admin on Tue Apr 01 19:10:44 GMT 2025 , Edited by admin on Tue Apr 01 19:10:44 GMT 2025

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