Benzo[a]Pyrene-9,10-Epoxide
[CAS# 36504-66-2]

Identification

• Name: Benzo[a]Pyrene-9,10-Epoxide
• Synonyms: Benzo[A]Pyrene-9,10-Oxide; C14849; 5-17-02-00533 (Beilstein Handbook Reference)
• Molecular Formula: C₂₀H₁₂O
• Molecular Weight: 268.31
• CAS Registry Number: 36504-66-2
• SMILES: C1=C6C(=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)C5C(O5)C=C6
• InChI: 1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H
• InChIKey: GOEJUYABKOTLJA-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 503.581°C at 760 mmHg (Cal.)
• Flash point: 241.33°C (Cal.)