4-Methylbenzo[a]Pyrene
[CAS# 16757-83-8]

Identification

• Name: 4-Methylbenzo[a]Pyrene
• Synonyms: 4-Methylbenzo(A)Pyrene; Brn 3283286; Benzo(A)Pyrene, 4-Methyl-
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 16757-83-8
• SMILES: C3=C(C)C1=CC=CC2=CC=C4C(=C12)C3=CC5=C4C=CC=C5
• InChI: 1S/C21H14/c1-13-11-16-12-15-5-2-3-7-18(15)19-10-9-14-6-4-8-17(13)20(14)21(16)19/h2-12H,1H3
• InChIKey: VYWXLKZSEDZSCA-UHFFFAOYSA-N

Properties

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