1-Methylbenzo(a)Pyrene
[CAS# 40568-90-9]

Identification

• Name: 1-Methylbenzo(a)Pyrene
• Synonyms: 1-Methyl-Bp; 1-Methylbenzo(A)Pyrene; 1-Methylbenzopyrene
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 40568-90-9
• SMILES: C1=CC4=C3C2=C1C5=C(C=C2C=CC3=CC=C4C)C=CC=C5
• InChI: 1S/C21H14/c1-13-6-7-14-8-9-16-12-15-4-2-3-5-18(15)19-11-10-17(13)20(14)21(16)19/h2-12H,1H3
• InChIKey: WMAYPBMLSQKCHA-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 479.361°C at 760 mmHg (Cal.)
• Flash point: 236.729°C (Cal.)