4-Chloro-3,5-dinitrobenzoic acid
CAS Registry Number®
118-97-8
CAS Name
4-Chloro-3,5-dinitrobenzoic acidMolecular Formula
C7H3ClN2O6Molecular Mass
246.56Cite this Page
4-Chloro-3,5-dinitrobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=118-97-8 (retrieved ) (CAS RN: 118-97-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
161.5 °CMelting Point (2)
161-163 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Berkenheim, A. M.; Zhurnal Obshchei Khimii, (1936), 6, 1043-56, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChIKey
InChIKey=PCTFIHOVQYYAMH-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=C(Cl)C(N(=O)=O)=CC(C(O)=O)=C1
Canonical SMILES
O=C(O)C=1C=C(C(Cl)=C(C1)N(=O)=O)N(=O)=O
Other Names for this Substance
- Benzoic acid, 4-chloro-3,5-dinitro-
- 4-Chloro-3,5-dinitrobenzoic acid
- 3,5-Dinitro-4-chlorobenzoic acid
- NSC 76583
- 4-Chloro-3,5-dinitrobenzenecarboxylic acid
