Benzo(a)Pyrene 11,12-Oxide
[CAS# 60448-19-3]

Identification

• Name: Benzo(a)Pyrene 11,12-Oxide
• Synonyms: Benzo(A)Pyrene-11,12-Epoxide; C0951; Benzo(A)Pyrene-11,12-Oxide
• Molecular Formula: C₂₀H₁₂O
• Molecular Weight: 268.31
• CAS Registry Number: 60448-19-3
• SMILES: C6=C4C2=C(C1OC1C3=C5C(=CC(=C23)C=C4)C=CC=C5)C=C6
• InChI: 1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H
• InChIKey: ISBWKKKMLFVMHH-UHFFFAOYSA-N

Properties

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