3-(1-Methyl-5-Nitroimidazol-2-Yl)-3a,4,5,6,7,7a-Hexahydro-1,2-Benzoxazole
[CAS# 33450-08-7]

Identification

• Name: 3-(1-Methyl-5-Nitroimidazol-2-Yl)-3a,4,5,6,7,7a-Hexahydro-1,2-Benzoxazole
• Synonyms: 3-(1-Methyl-5-Nitro-Imidazol-2-Yl)-3A,4,5,6,7,7A-Hexahydro-1,2-Benzoxazole; 3-(1-Methyl-5-Nitro-2-Imidazolyl)-3A,4,5,6,7,7A-Hexahydro-1,2-Benzoxazole; 3-(1-Methyl-5-Nitro-Imidazol-2-Yl)-3A,4,5,6,7,7A-Hexahydroindoxazene
• Molecular Formula: C₁₁H₁₄N₄O₃
• Molecular Weight: 250.26
• CAS Registry Number: 33450-08-7
• SMILES: C1=C([N](C(=N1)C2=NOC3C2CCCC3)C)[N+]([O-])=O
• InChI: 1S/C11H14N4O3/c1-14-9(15(16)17)6-12-11(14)10-7-4-2-3-5-8(7)18-13-10/h6-8H,2-5H2,1H3
• InChIKey: SPUUHYKZDFCYGW-UHFFFAOYSA-N

Properties

• Density: 1.61g/cm³ (Cal.)
• Boiling point: 434.416°C at 760 mmHg (Cal.)
• Flash point: 216.527°C (Cal.)