CAS Registry Number®
3034-38-6
CAS Name
5-Nitroimidazole
Molecular Formula
C3H3N3O2
Molecular Mass
113.07
Compound Properties
-
Melting Point (1)
303 °C (decomp)
-
Density (2)
1.660 g/cm³ (solid)
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Kim, Chan Kyung; Bulletin of the Korean Chemical Society, (2016), 37(10), 1683-1689, CAplus
Other Names and Identifiers
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChIKey
InChIKey=VYDWQPKRHOGLPA-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CN=CN1
Canonical SMILES
O=N(=O)C1=CN=CN1
Other Names for this Substance
- 1H-Imidazole, 5-nitro-
- Imidazole, 4-nitro-
- 1H-Imidazole, 4-nitro-
- Imidazole, 4(or 5)-nitro-
- 5-Nitro-1H-imidazole
- 4-Nitroimidazole
- 5-Nitroimidazole
- 4(5)-Nitroimidazole
- 1H-5-Nitroimidazole
- 1H-4-Nitroimidazole
- NSC 50359
- 4-Nitro-1H-imidazole
Deleted or Replaced CAS Registry Numbers
88054-21-1, 196413-24-8, 932779-11-8
