2,3,6-TRINITROTOLUENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
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)[N+]([O-])=O

InChI

InChIKey=LFCALAUEQXYQIV-UHFFFAOYSA-N

InChI=1S/C7H5N3O6/c1-4-5(8(11)12)2-3-6(9(13)14)7(4)10(15)16/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
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 `Mon Mar 31 22:21:55 GMT 2025` Edited by `admin` on `Mon Mar 31 22:21:55 GMT 2025`
Record UNII	VB65AU8340
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3,6-TRINITROTOLUENE

Systematic Name

English

1-METHYL-2,3,6-TRINITROBENZENE

Preferred Name

English

BENZENE, 2-METHYL-1,3,4-TRINITRO-

Systematic Name

English

2-METHYL-1,3,4-TRINITROBENZENE

Systematic Name

English

BENZENE, 1-METHYL-2,3,6-TRINITRO-

Systematic Name

English

TOLUENE, 2,3,6-TRINITRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

VB65AU8340

Created by admin on Mon Mar 31 22:21:55 GMT 2025 , Edited by admin on Mon Mar 31 22:21:55 GMT 2025

PRIMARY

PUBCHEM

29021

Created by admin on Mon Mar 31 22:21:55 GMT 2025 , Edited by admin on Mon Mar 31 22:21:55 GMT 2025

PRIMARY

CAS

18292-97-2

Created by admin on Mon Mar 31 22:21:55 GMT 2025 , Edited by admin on Mon Mar 31 22:21:55 GMT 2025

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EPA CompTox

DTXSID6075140

Created by admin on Mon Mar 31 22:21:55 GMT 2025 , Edited by admin on Mon Mar 31 22:21:55 GMT 2025

PRIMARY