Methyl 2,7-Dinitrocubane-1-Carboxylate
[CAS# 149574-35-6]

Identification

• Name: Methyl 2,7-Dinitrocubane-1-Carboxylate
• Synonyms: 2,7-Dinitro-1-Cubanecarboxylic Acid Methyl Ester; 2,7-Dinitrocubane-1-Carboxylic Acid Methyl Ester; Methyl 2,7-Dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))Octane-1-Carboxylate
• Molecular Formula: C₁₀H₈N₂O₆
• Molecular Weight: 252.18
• CAS Registry Number: 149574-35-6
• SMILES: COC(=O)C12C3([N+]([O-])=O)C4C1C5([N+]([O-])=O)C2C3C45
• InChI: 1S/C10H8N2O6/c1-18-7(13)8-5-3-2-4(10(3,8)12(16)17)6(8)9(2,5)11(14)15/h2-6H,1H3
• InChIKey: CALZAILSGDZPNU-UHFFFAOYSA-N

Properties

• Density: 1.909g/cm³ (Cal.)
• Boiling point: 403.108°C at 760 mmHg (Cal.)
• Flash point: 205.365°C (Cal.)