Benzo(a)Pyrene-4,5-Epoxide
[CAS# 37574-47-3]

Identification

• Name: Benzo(a)Pyrene-4,5-Epoxide
• Synonyms: Benzo(A)Pyrene-4,5-Oxide; Ccris 798; Benzo[A]Pyrene-4,5-Epoxide
• Molecular Formula: C₂₀H₁₂O
• Molecular Weight: 268.31
• CAS Registry Number: 37574-47-3
• SMILES: C1=C2C(=CC=C1)C5=C3C(=C2)C6C(C4=CC=CC(=C34)C=C5)O6
• InChI: 1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
• InChIKey: XGZQLNASOQVQTD-UHFFFAOYSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 518.851°C at 760 mmHg (Cal.)
• Flash point: 249°C (Cal.)