2,4,5-TRINITROTOLUENE

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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 of 2,4,5-TRINITROTOLUENE

Structure Search

SMILES

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

InChI

InChIKey=FZJGZCSVWGKDAK-UHFFFAOYSA-N

InChI=1S/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/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 `Wed Apr 02 12:02:31 GMT 2025` Edited by `admin` on `Wed Apr 02 12:02:31 GMT 2025`
Record UNII	ZV5WC939NF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,5-TRINITROTOLUENE

Systematic Name

English

1-METHYL-2,4,5-TRINITROBENZENE

Preferred Name

English

TOLUENE, 2,4,5-TRINITRO-

Systematic Name

English

BENZENE, 1-METHYL-2,4,5-TRINITRO-

Systematic Name

English

Code System Code Type Description

CAS

610-25-3

Created by admin on Wed Apr 02 12:02:31 GMT 2025 , Edited by admin on Wed Apr 02 12:02:31 GMT 2025

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EPA CompTox

DTXSID40209853

Created by admin on Wed Apr 02 12:02:31 GMT 2025 , Edited by admin on Wed Apr 02 12:02:31 GMT 2025

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ECHA (EC/EINECS)

210-214-8

Created by admin on Wed Apr 02 12:02:31 GMT 2025 , Edited by admin on Wed Apr 02 12:02:31 GMT 2025

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PUBCHEM

11878

Created by admin on Wed Apr 02 12:02:31 GMT 2025 , Edited by admin on Wed Apr 02 12:02:31 GMT 2025

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FDA UNII

ZV5WC939NF

Created by admin on Wed Apr 02 12:02:31 GMT 2025 , Edited by admin on Wed Apr 02 12:02:31 GMT 2025

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