12-Chloromethylbenzo[a]Pyrene
[CAS# 94500-44-4]

Identification

• Name: 12-Chloromethylbenzo[a]Pyrene
• Synonyms: 12-Chloromethylbenzo(A)Pyrene; Benzo(A)Pyrene, 12-(Chloromethyl)-; Brn 5561691
• Molecular Formula: C₂₁H₁₃Cl
• Molecular Weight: 300.79
• CAS Registry Number: 94500-44-4
• SMILES: C1=C(C4=C3C2=C1C5=C(C=C2C=CC3=CC=C4)C=CC=C5)CCl
• InChI: 1S/C21H13Cl/c22-12-16-11-19-17-6-2-1-4-14(17)10-15-9-8-13-5-3-7-18(16)20(13)21(15)19/h1-11H,12H2
• InChIKey: NSEJACQEDMUEIJ-UHFFFAOYSA-N

Properties

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