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 2578

PubMed

Title	Date	PubMed
Express analysis of explosives, chemical warfare agents and drugs with multicapillary column gas chromatography and ion mobility increment spectrometry.	2004 Feb 5	14698239
Solubilization of nitrotoluenes in micellar nonionic surfactant solutions.	2007 Aug	17395241

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 `Fri Dec 15 18:51:20 GMT 2023` Edited by `admin` on `Fri Dec 15 18:51:20 GMT 2023`
Record UNII	BS660NHC83
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

2,3-DINITROTOLUENE [HSDB]

Common 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