1,3-Bis(2-Methyl-4-Nitroimidazol-1-Yl)Propan-2-Yl Acetate
[CAS# 110230-95-0]

Identification

• Name: 1,3-Bis(2-Methyl-4-Nitroimidazol-1-Yl)Propan-2-Yl Acetate
• Synonyms: [2-(2-Methyl-4-Nitro-Imidazol-1-Yl)-1-[(2-Methyl-4-Nitro-Imidazol-1-Yl)Methyl]Ethyl] Acetate; Acetic Acid [2-(2-Methyl-4-Nitro-1-Imidazolyl)-1-[(2-Methyl-4-Nitro-1-Imidazolyl)Methyl]Ethyl] Ester; Acetic Acid [2-(2-Methyl-4-Nitro-Imidazol-1-Yl)-1-[(2-Methyl-4-Nitro-Imidazol-1-Yl)Methyl]Ethyl] Ester
• Molecular Formula: C₁₃H₁₆N₆O₆
• Molecular Weight: 352.31
• CAS Registry Number: 110230-95-0
• SMILES: C1=C(N=C([N]1CC(OC(C)=O)C[N]2C(=NC(=C2)[N+](=O)[O-])C)C)[N+](=O)[O-]
• InChI: 1S/C13H16N6O6/c1-8-14-12(18(21)22)6-16(8)4-11(25-10(3)20)5-17-7-13(19(23)24)15-9(17)2/h6-7,11H,4-5H2,1-3H3
• InChIKey: XCOGTTVSYZHWCD-UHFFFAOYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 642.649°C at 760 mmHg (Cal.)
• Flash point: 342.462°C (Cal.)