Propenidazole
[CAS# 76448-31-2]

Identification

• Name: Propenidazole
• Synonyms: Ethyl (2E)-2-[(1-Methyl-5-Nitro-Imidazol-2-Yl)Methylene]-3-Oxo-Butanoate; (2E)-2-[(1-Methyl-5-Nitro-2-Imidazolyl)Methylene]-3-Oxobutanoic Acid Ethyl Ester; (E)-2-Acetyl-3-(1-Methyl-5-Nitro-Imidazol-2-Yl)Acrylic Acid Ethyl Ester
• Molecular Formula: C₁₁H₁₃N₃O₅
• Molecular Weight: 267.24
• CAS Registry Number: 76448-31-2
• SMILES: C1=C([N](C(=N1)\C=C(\C(OCC)=O)C(C)=O)C)[N+](=O)[O-]
• InChI: 1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3/b8-5+
• InChIKey: GCHKUUOPYMFGEY-VMPITWQZSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 437.636°C at 760 mmHg (Cal.)
• Flash point: 218.474°C (Cal.)