Benzoic acid, 3,5-dinitro-, ethyl ester
CAS Registry Number®
618-71-3
No image available.
CAS Name
Benzoic acid, 3,5-dinitro-, ethyl esterMolecular Formula
C9H8N2O6Molecular Mass
240.17Cite this Page
Benzoic acid, 3,5-dinitro-, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=618-71-3 (retrieved ) (CAS RN: 618-71-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
94 °CDensity (2)
1.511 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Camerman, N.; Canadian Journal of Chemistry, (1961), 39, 2133-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3
InChIKey
InChIKey=IBQREHJPMPCXQA-UHFFFAOYSA-N
SMILES
C(OCC)(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1
Canonical SMILES
O=C(OCC)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O
Other Names for this Substance
- Benzoic acid, 3,5-dinitro-, ethyl ester
- Ethyl 3,5-dinitrobenzoate
- 3,5-Dinitrobenzoic acid ethyl ester
- NSC 32741
