11-Chloromethylbenzo[a]Pyrene
[CAS# 94500-54-6]

Identification

• Name: 11-Chloromethylbenzo[a]Pyrene
• Synonyms: Brn 5561773; Ccris 2525; 11-Chloromethylbenzo(A)Pyrene
• Molecular Formula: C₂₁H₁₃Cl
• Molecular Weight: 300.79
• CAS Registry Number: 94500-54-6
• SMILES: C1=C5C3=C(C2=C1C=CC=C2)C(=CC4=C3C(=CC=C4)C=C5)CCl
• InChI: 1S/C21H13Cl/c22-12-17-11-15-6-3-5-13-8-9-16-10-14-4-1-2-7-18(14)20(17)21(16)19(13)15/h1-11H,12H2
• InChIKey: YNFWZKLFAYROMP-UHFFFAOYSA-N

Properties

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