2-Nitro-4-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 2-Nitro-4-toluonitrile

Structure Search

SMILES

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

InChI

InChIKey=QGBSLPHQCUIZKK-UHFFFAOYSA-N

InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/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 18:46:15 GMT 2025` Edited by `admin` on `Tue Apr 01 18:46:15 GMT 2025`
Record UNII	BA3SM6E7RK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-60828

Preferred Name

English

2-Nitro-4-toluonitrile

Systematic Name

English

Benzonitrile, 4-methyl-2-nitro-

Systematic Name

English

4-Methyl-2-nitrobenzonitrile

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

248-019-5

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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NSC

60828

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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PUBCHEM

96235

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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CAS

26830-95-5

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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FDA UNII

BA3SM6E7RK

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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EPA CompTox

DTXSID40181322

Created by admin on Tue Apr 01 18:46:15 GMT 2025 , Edited by admin on Tue Apr 01 18:46:15 GMT 2025

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