2,4,6-TRINITROBENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H3N3O8
Molecular Weight	257.114
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=KAQBNBSMMVTKRN-UHFFFAOYSA-N

InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H3N3O8
Molecular Weight	257.114
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Toxicological characterization of 2,4,6-trinitrotoluene, its transformation products, and two nitramine explosives.	2007 Jun	17571672
Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients.	2009 Jul	20502540

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:17:46 GMT 2023` Edited by `admin` on `Sat Dec 16 02:17:46 GMT 2023`
Record UNII	134ID308V9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-TRINITROBENZOIC ACID

Systematic Name

English

NSC-133453

Code

English

TRINITROBENZOIC ACID, DRY OR WETTED WITH < 30% WATER, BY MASS

Common Name

English

TNBA

Common Name

English

BENZOIC ACID, 2,4,6-TRINITRO-

Common Name

English

UN-0215

Code

English

UN0215

Code

English

SYM-TRINITROBENZOIC ACID

Common Name

English

1-CARBOXY-2,4,6-TRINITROBENZENE

Systematic Name

English

2,4,6-TRINITROBENZOIC ACID [MI]

Common Name

English

TRINITROBENZOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

134ID308V9