4,5-Epoxy-1-Nitro-4,5-Dihydrobenzo(E)Pyrene
[CAS# 115664-49-8]

Identification

• Name: 4,5-Epoxy-1-Nitro-4,5-Dihydrobenzo(E)Pyrene
• Synonyms: Benzo(9,10)Pyreno(4,5-B)Oxirene, 3B,4A-Dihydro-1-Nitro- (9Ci); Benzo(E)Pyrene, 4,5-Dihydro-4,5-Epoxy-1-Nitro-; Ccris 1529
• Molecular Formula: C₂₀H₁₁NO₃
• Molecular Weight: 313.31
• CAS Registry Number: 115664-49-8
• SMILES: C1=CC(=C5C3=C1C2OC2C4=C3C(=CC=C4)C6=CC=CC=C56)[N+]([O-])=O
• InChI: 1S/C20H11NO3/c22-21(23)15-9-8-14-18-16-11(6-3-7-13(16)19-20(14)24-19)10-4-1-2-5-12(10)17(15)18/h1-9,19-20H
• InChIKey: YXCUTAHELJGPFG-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 587.59°C at 760 mmHg (Cal.)
• Flash point: 273.012°C (Cal.)