3-(2-Methyl-5-Nitroimidazole-1-Yl)-1,2-Propanediol
[CAS# 62580-80-7]

Identification

• Name: 3-(2-Methyl-5-Nitroimidazole-1-Yl)-1,2-Propanediol
• Synonyms: 3-(2-Methyl-5-Nitro-Imidazol-1-Yl)Propane-1,2-Diol; 3-(2-Methyl-5-Nitro-1-Imidazolyl)Propane-1,2-Diol; Ro 11-2616
• Molecular Formula: C₇H₁₁N₃O₄
• Molecular Weight: 201.18
• CAS Registry Number: 62580-80-7
• SMILES: C1=C([N+]([O-])=O)[N](C(=N1)C)CC(O)CO
• InChI: 1S/C7H11N3O4/c1-5-8-2-7(10(13)14)9(5)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3
• InChIKey: QQNYOVQUGLPEFB-UHFFFAOYSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 512.788°C at 760 mmHg (Cal.)
• Flash point: 263.925°C (Cal.)