2-Methylbenzo[a]Pyrene
[CAS# 16757-82-7]

Identification

• Name: 2-Methylbenzo[a]Pyrene
• Synonyms: 2-Methylbenzo(A)Pyrene; 3-05-00-02528 (Beilstein Handbook Reference); 9-Methyl-3,4-Benzpyrene
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 16757-82-7
• SMILES: C1=CC4=C3C2=C1C5=C(C=C2C=CC3=CC(=C4)C)C=CC=C5
• InChI: 1S/C21H14/c1-13-10-15-6-7-17-12-14-4-2-3-5-18(14)19-9-8-16(11-13)20(15)21(17)19/h2-12H,1H3
• InChIKey: BBVAZDUFJMPLJK-UHFFFAOYSA-N

Properties

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