Methyl (4-Nitro-1H-Imidazol-1-Yl)Acetate
[CAS# 13230-21-2]

Identification

• Name: Methyl (4-Nitro-1H-Imidazol-1-Yl)Acetate
• Synonyms: (4-Nitro-imidazol-1-yl)-acetic acid methyl ester; Methyl (4-nitro-1-imidazolyl)acetate; methyl 2-(4-nitro-1H-imidazol-1-yl)acetate
• Molecular Formula: C₆H₇N₃O₄
• Molecular Weight: 185.14
• CAS Registry Number: 13230-21-2
• SMILES: O=C(OC)Cn1cc(nc1)[N+]([O-])=O
• InChI: 1S/C6H7N3O4/c1-13-6(10)3-8-2-5(7-4-8)9(11)12/h2,4H,3H2,1H3
• InChIKey: LCKCAKPRNOIOBA-UHFFFAOYSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 387.75°C at 760 mmHg (Cal.)
• Flash point: 188.305°C (Cal.)
• Refractive index: 1.597 (Cal.)