9-Hydroxybenzo(a)Pyrene-4,5-Epoxide
[CAS# 61133-85-5]

Identification

• Name: 9-Hydroxybenzo(a)Pyrene-4,5-Epoxide
• Synonyms: Benzo(1,2)Pyreno(4,5-B)Oxiren-8-Ol, 3B,4A-Dihydro-, Stereoisomer; 3B,4A-Dihydrobenzo(1,2)Pyreno(4,5-B)Oxiren-8-Ol; 9-Hydroxybenzo(A)Pyrene-4,5-Epoxide
• Molecular Formula: C₂₀H₁₂O₂
• Molecular Weight: 284.31
• CAS Registry Number: 61133-85-5
• SMILES: C1=C(C=C2C(=C1)C=C5C3=C2C=CC4=CC=CC(=C34)C6C5O6)O
• InChI: 1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H
• InChIKey: QMJJLPWCBGOGAF-UHFFFAOYSA-N

Properties

• Density: 1.486g/cm³ (Cal.)
• Boiling point: 582.11°C at 760 mmHg (Cal.)
• Flash point: 307.857°C (Cal.)