6-Methyl-Benzo[a]Pyrene
[CAS# 2381-39-7]

Identification

• Name: 6-Methyl-Benzo[a]Pyrene
• Synonyms: 3-05-00-02529 (Beilstein Handbook Reference); 5-Methyl-3,4-Benzopyrene; 5-Methyl-3,4-Benzpyrene
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 2381-39-7
• EINECS: 219-179-3
• SMILES: C2=CC1=CC=CC5=C1C3=C(C(=C4C(=C23)C=CC=C4)C)C=C5
• InChI: 1S/C21H14/c1-13-16-7-2-3-8-18(16)19-12-10-15-6-4-5-14-9-11-17(13)21(19)20(14)15/h2-12H,1H3
• InChIKey: YFYHJNJCAGHSFA-UHFFFAOYSA-N

Properties

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