2,4,6-Trinitrobenzoic acid
CAS Registry Number®
129-66-8
CAS Name
2,4,6-Trinitrobenzoic acidMolecular Formula
C7H3N3O8Molecular Mass
257.11Cite this Page
2,4,6-Trinitrobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=129-66-8 (retrieved ) (CAS RN: 129-66-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
228.7 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
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)
InChIKey
InChIKey=KAQBNBSMMVTKRN-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=C(N(=O)=O)C=C(N(=O)=O)C=C1N(=O)=O
Canonical SMILES
O=C(O)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O
Other Names for this Substance
- Benzoic acid, 2,4,6-trinitro-
- 2,4,6-Trinitrobenzoic acid
- sym-Trinitrobenzoic acid
- Trinitrobenzoic acid
- 1-Carboxy-2,4,6-trinitrobenzene
