7,8,9,10-Tetrahydro-7,8-dihydroxybenzo(a)pyrene 9,10-epoxide
[CAS# 60268-85-1]

Identification

• Name: 7,8,9,10-Tetrahydro-7,8-dihydroxybenzo(a)pyrene 9,10-epoxide
• Synonyms: (+-)-(E)-7,8-Dihydroxy-9,10-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene; (+-)-Anti-Bpde; (+-)-Trans-7,8-Dihydroxy-Trans-9,10-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 60268-85-1 (58917-67-2)
• SMILES: C3=C6C2=C1C(=CC=CC1=CC=C2C4=C3C(C(C5C4O5)O)O)C=C6
• InChI: 1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H
• InChIKey: DQEPMTIXHXSFOR-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 594.249°C at 760 mmHg (Cal.)
• Flash point: 313.191°C (Cal.)