6-(Chloromethyl)Benzo[b]Pyrene
[CAS# 49852-84-8]

Identification

• Name: 6-(Chloromethyl)Benzo[b]Pyrene
• Synonyms: 6-(Chloromethyl)Benzo(A)Pyrene; 6-Chloromethylbenzo(A)Pyrene; Benzo(A)Pyrene, 6-Chloromethyl-
• Molecular Formula: C₂₁H₁₃Cl
• Molecular Weight: 300.79
• CAS Registry Number: 49852-84-8
• SMILES: C1=CC4=C3C2=C1C5=C(C(=C2C=CC3=CC=C4)CCl)C=CC=C5
• InChI: 1S/C21H13Cl/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/h1-11H,12H2
• InChIKey: FRHNMMRZSKOSOL-UHFFFAOYSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 521.879°C at 760 mmHg (Cal.)
• Flash point: 243.569°C (Cal.)