4-(1-Methyl-2-Nitro-1H-Imidazol-5-Yl)-3-Buten-2-One
[CAS# 67254-83-5]

Identification

• Name: 4-(1-Methyl-2-Nitro-1H-Imidazol-5-Yl)-3-Buten-2-One
• Synonyms: (E)-4-(3-Methyl-2-Nitro-Imidazol-4-Yl)But-3-En-2-One; (E)-4-(3-Methyl-2-Nitro-4-Imidazolyl)But-3-En-2-One; 1H-Imidazole, 5-(2-Acetylvinyl)-1-Methyl-2-Nitro-
• Molecular Formula: C₈H₉N₃O₃
• Molecular Weight: 195.18
• CAS Registry Number: 67254-83-5
• SMILES: C1=C([N](C(=N1)[N+]([O-])=O)C)\C=C\C(=O)C
• InChI: 1S/C8H9N3O3/c1-6(12)3-4-7-5-9-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+
• InChIKey: IOALFYAJCVAMHB-ONEGZZNKSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 445.429°C at 760 mmHg (Cal.)
• Flash point: 223.188°C (Cal.)