3,5-Dinitrobenzoic acid
CAS Registry Number®
99-34-3
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CAS Name
3,5-Dinitrobenzoic acidMolecular Formula
C7H4N2O6Molecular Mass
212.12Cite this Page
3,5-Dinitrobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99-34-3 (retrieved ) (CAS RN: 99-34-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
205 °CDensity (2)
1.498 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Li, Xinbao; Journal of Chemical Thermodynamics, (2017), 105, 21-29, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
InChIKey
InChIKey=VYWYYJYRVSBHJQ-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1
Canonical SMILES
O=C(O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O
Other Names for this Substance
- Benzoic acid, 3,5-dinitro-
- 3,5-Dinitrobenzoic acid
- 3-Carboxy-1,5-dinitrobenzene
- DNBA
- NSC 8732
Deleted or Replaced CAS Registry Numbers
64582-71-4, 73881-46-6
