7,8-Dihydro-7alpha,8beta-Dihydroxybenzo[a]Pyrene
[CAS# 62314-67-4]

Identification

• Name: 7,8-Dihydro-7alpha,8beta-Dihydroxybenzo[a]Pyrene
• Synonyms: (+)-7S,8S-Dihydroxy-7,8-Dihydrobenzo(A)Pyrene; (+)-Benzo(A)Pyrene-7,8-Dihydrodiol; (+)-Benzo(A)Pyrene-7S,8S-Dihydrodiol
• Molecular Formula: C₂₀H₁₄O₂
• Molecular Weight: 286.33
• CAS Registry Number: 62314-67-4
• SMILES: [C@H]5(O)C2=C(C1=CC=C4C3=C1C(=C2)C=CC3=CC=C4)C=C[C@@H]5O
• InChI: 1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1
• InChIKey: YDXRLMMGARHIIC-PXNSSMCTSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 553.277°C at 760 mmHg (Cal.)
• Flash point: 268.564°C (Cal.)