2,6-Bis(3-Nitrobenzylidene)Cyclohexan-1-One
[CAS 18977-36-1]

Identification

• Name: 2,6-Bis(3-Nitrobenzylidene)Cyclohexan-1-One
• Synonyms: (2E,6E)-2,6-Bis[(3-Nitrophenyl)Methylidene]Cyclohexan-1-One; 2,6-Bis[(3-Nitrophenyl)Methylene]Cyclohexan-1-One; (2E,6E)-2,6-Bis[(3-Nitrophenyl)Methylene]Cyclohexan-1-One
• Molecular Formula: C₂₀H₁₆N₂O₅
• Molecular Weight: 364.36
• CAS Registry Number: 18977-36-1
• EINECS: 242-711-0
• SMILES: C1=C(C=CC=C1\C=C/3C(C(=C/C2=CC=CC(=C2)[N+](=O)[O-])/CCC3)=O)[N+](=O)[O-]
• InChI: 1S/C20H16N2O5/c23-20-16(10-14-4-1-8-18(12-14)21(24)25)6-3-7-17(20)11-15-5-2-9-19(13-15)22(26)27/h1-2,4-5,8-13H,3,6-7H2/b16-10+,17-11+
• InChIKey: YXADDWKSFJIQJN-OTYYAQKOSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 593.676°C at 760 mmHg (Cal.)
• Flash point: 284.427°C (Cal.)