Benzo[b]Pyren-6-Ylmethanol
[CAS# 21247-98-3]

Identification

• Name: Benzo[b]Pyren-6-Ylmethanol
• Synonyms: 6-Benzo[B]Pyrenylmethanol; 6-(Hydroxymethyl)Benzo(A)Pyrene; 6-Hydroxymethylbenzo(A)Pyrene
• Molecular Formula: C₂₁H₁₄O
• Molecular Weight: 282.34
• CAS Registry Number: 21247-98-3
• SMILES: C1=CC4=C3C2=C1C(=C5C(=C2C=CC3=CC=C4)C=CC=C5)CO
• InChI: 1S/C21H14O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11,22H,12H2
• InChIKey: FJQLVOHCPDYIFE-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 542.363°C at 760 mmHg (Cal.)
• Flash point: 235.868°C (Cal.)