Benzo(a)Pyrene-9,10-Dihydrodiol
[CAS# 58886-98-9]

Identification

• Name: Benzo(a)Pyrene-9,10-Dihydrodiol
• Synonyms: Benzo(A)Pyrene-9,10-Dihydrodiol, Trans-(+/-)-; (+-)-Trans-9,10-Dihydroxy-9,10-Dihydrobenzo(A)Pyrene; Benzo(A)Pyrene, 9,10-Dihydro-9,10-Dihydroxy-, (+-)-Trans-
• Molecular Formula: C₂₀H₁₄O₂
• Molecular Weight: 286.33
• CAS Registry Number: 58886-98-9
• SMILES: [C@@H]5(O)C1=C(C=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)C=C[C@H]5O
• InChI: 1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m1/s1
• InChIKey: GHARBPKRUUKTCI-UZLBHIALSA-N

Properties

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