2,3-DINITROTOLUENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=DYSXLQBUUOPLBB-UHFFFAOYSA-N

InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.env.go.jp/en/chemi/chemicals/profile_erac/profile5/pf1-11.pdf

2,3-Dinitrotoluene is an isomer of dinitrotoluene. It is used primarily as organic syntheses, a raw material of toluizine, dyes, and an intermediate compound of explosive.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Solubilization of nitrotoluenes in micellar nonionic surfactant solutions.	2007-08	17395241
Express analysis of explosives, chemical warfare agents and drugs with multicapillary column gas chromatography and ion mobility increment spectrometry.	2004-02-05	14698239

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:45 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:45 GMT 2025`
Record UNII	BS660NHC83
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3-DINITROTOLUENE [HSDB]

Preferred Name

English

2,3-DINITROTOLUENE

Systematic Name

English

DINITROTOLUENE, 2,3-

Systematic Name

English

TOLUENE, 2,3-DINITRO-

Systematic Name

English

2,3-DINITROTOLUOL

Systematic Name

English

1-METHYL-2,3-DINITROBENZENE

Systematic Name

English

BENZENE, 1-METHYL-2,3-DINITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11761