3-Methylbenzo[a]Pyrene
[CAS# 16757-81-6]

Identification

• Name: 3-Methylbenzo[a]Pyrene
• Synonyms: 3-Methylbenz(A)Pyrene; 3-Methylbenzo(A)Pyrene; 4-05-00-02694 (Beilstein Handbook Reference)
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 16757-81-6
• SMILES: C4=CC2=C1C5=C(C=CC1=C3C(=C2)C=CC=C3)C=CC(=C45)C
• InChI: 1S/C21H14/c1-13-6-7-14-8-11-19-18-5-3-2-4-15(18)12-16-9-10-17(13)20(14)21(16)19/h2-12H,1H3
• InChIKey: PIAGFISXZFTFAL-UHFFFAOYSA-N

Properties

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