1,2-Dimethylbenzo[a]Pyrene
[CAS# 16757-85-0]

Identification

• Name: 1,2-Dimethylbenzo[a]Pyrene
• Synonyms: 1,2-Dimethylbenzo(A)Pyrene; 4-05-00-02702 (Beilstein Handbook Reference); Benzo(A)Pyrene, 1,2-Dimethyl-
• Molecular Formula: C₂₂H₁₆
• Molecular Weight: 280.37
• CAS Registry Number: 16757-85-0
• SMILES: C1=CC4=C3C2=C1C5=C(C=C2C=CC3=CC(=C4C)C)C=CC=C5
• InChI: 1S/C22H16/c1-13-11-16-7-8-17-12-15-5-3-4-6-19(15)20-10-9-18(14(13)2)21(16)22(17)20/h3-12H,1-2H3
• InChIKey: BKXHRQZQCCZOKZ-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 495.53°C at 760 mmHg (Cal.)
• Flash point: 247.441°C (Cal.)