Benzo[b]Pyrene-6,12-Dione
[CAS# 3067-12-7]

Identification

• Name: Benzo[b]Pyrene-6,12-Dione
• Synonyms: Benzo[B]Pyrene-6,12-Quinone; Aids132177; Benzo[Def]Chrysene-6,12-Dione
• Molecular Formula: C₂₀H₁₀O₂
• Molecular Weight: 282.30
• CAS Registry Number: 3067-12-7
• SMILES: C1=C3C(=CC=C1)C(=O)C2=CC=C5C4=C2C3=CC(=O)C4=CC=C5
• InChI: 1S/C20H10O2/c21-17-10-16-12-5-1-2-6-13(12)20(22)15-9-8-11-4-3-7-14(17)18(11)19(15)16/h1-10H
• InChIKey: HSJQJGAVYCLWJA-UHFFFAOYSA-N

Properties

• Density: 1.428g/cm³ (Cal.)
• Boiling point: 531.853°C at 760 mmHg (Cal.)
• Flash point: 195.614°C (Cal.)