2-Methoxy-5-Nitro-2,4,6-Cycloheptatrien-1-One
[CAS# 14628-90-1]

Identification

• Name: 2-Methoxy-5-Nitro-2,4,6-Cycloheptatrien-1-One
• Synonyms: 2-Methoxy-5-Nitro-Cyclohepta-2,4,6-Trien-1-One; 2-Methoxy-5-Nitro-1-Cyclohepta-2,4,6-Trienone; 2-Methoxy-5-Nitrotropone
• Molecular Formula: C₈H₇NO₄
• Molecular Weight: 181.15
• CAS Registry Number: 14628-90-1
• EINECS: 238-670-3
• SMILES: COC1=CC=C([N+]([O-])=O)C=CC1=O
• InChI: 1S/C8H7NO4/c1-13-8-5-3-6(9(11)12)2-4-7(8)10/h2-5H,1H3
• InChIKey: SRVBIVSFLVFSAB-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 313.142°C at 760 mmHg (Cal.)
• Flash point: 156.4°C (Cal.)