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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 of 2,4,6-TRINITROBENZOIC ACID

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

PubMed

TitleDatePubMed
Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients.
2009-07
Toxicological characterization of 2,4,6-trinitrotoluene, its transformation products, and two nitramine explosives.
2007-06
Effect of organic additives on the mitigation of volatility of 1-nitro-3,3'-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material.
2006-06-30
Genotoxicity of nitrosulfonic acids, nitrobenzoic acids, and nitrobenzylalcohols, pollutants commonly found in ground water near ammunition facilities.
2006-03
Synthetic utilization of polynitroaromatic compounds. 3. Preparation of substituted dibenz[b,f][1,4]oxazepine-11(10H)-ones from 2,4,6-trinitrobenzoic acid via nucleophilic displacement of nitro groups.
2005-11-11
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:12:40 GMT 2025
Edited
by admin
on Mon Mar 31 21:12:40 GMT 2025
Record UNII
134ID308V9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-133453
Preferred Name English
2,4,6-TRINITROBENZOIC ACID
MI  
Systematic Name 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
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-958-2
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID70861781
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
NSC
133453
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
MERCK INDEX
m11169
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY Merck Index
CAS
129-66-8
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
PUBCHEM
8518
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY
HSDB
1010
Created by admin on Mon Mar 31 21:12:40 GMT 2025 , Edited by admin on Mon Mar 31 21:12:40 GMT 2025
PRIMARY