5-Methyl-5-Nitrohexan-2-One
[CAS# 4604-49-3]

Identification

• Name: 5-Methyl-5-Nitrohexan-2-One
• Synonyms: 5-Methyl-5-Nitro-Hexan-2-One; 2-Hexanone, 5-Methyl-5-Nitro-
• Molecular Formula: C₇H₁₃NO₃
• Molecular Weight: 159.18
• CAS Registry Number: 4604-49-3
• EINECS: 225-006-2
• SMILES: C(C([N+]([O-])=O)(C)C)CC(C)=O
• InChI: 1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3
• InChIKey: QWHNMIXUSPUHGO-UHFFFAOYSA-N

Properties

• Density: 1.033g/cm³ (Cal.)
• Boiling point: 247.952°C at 760 mmHg (Cal.)
• Flash point: 103.317°C (Cal.)