1,3-DIMETHYL-5-NITROBENZENE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-DIMETHYL-5-NITROBENZENE

Structure Search

SMILES

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

InChI

InChIKey=BYFNZOKBMZKTSC-UHFFFAOYSA-N

InChI=1S/C8H9NO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.	2009 Oct 15	19716338

Patents

Patents

Name

Type

Language

1,3-DIMETHYL-5-NITROBENZENE

Systematic Name

English

5-NITRO-M-XYLENE

Systematic Name

English

1-NITRO-3,5-DIMETHYLBENZENE

Systematic Name

English

5-METHYL-3-NITROTOLUENE

Systematic Name

English

NSC-5403

Code

English

3,5-DIMETHYL-1-NITROBENZENE

Systematic Name

English

3,5-DIMETHYLNITROBENZENE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7025136

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

PRIMARY

ECHA (EC/EINECS)

202-732-8

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

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NSC

5403

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

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CAS

99-12-7

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

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FDA UNII

5HVW2QTF0D

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

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PUBCHEM

7426

Created by admin on Sat Dec 16 00:22:29 GMT 2023 , Edited by admin on Sat Dec 16 00:22:29 GMT 2023

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SUBSTANCE RECORD


					5HVW2QTF0D

1,3-DIMETHYL-5-NITROBENZENE