1,3-Dimethylbenzo[a]Pyrene
[CAS# 16757-86-1]

Identification

• Name: 1,3-Dimethylbenzo[a]Pyrene
• Synonyms: Brn 2272898; 1,3-Dimethylbenzo(A)Pyrene; Benzo(A)Pyrene, 1,3-Dimethyl-
• Molecular Formula: C₂₂H₁₆
• Molecular Weight: 280.37
• CAS Registry Number: 16757-86-1
• SMILES: C1=CC4=C3C2=C1C5=C(C=C2C=CC3=C(C=C4C)C)C=CC=C5
• InChI: 1S/C22H16/c1-13-11-14(2)18-9-10-20-19-6-4-3-5-15(19)12-16-7-8-17(13)22(18)21(16)20/h3-12H,1-2H3
• InChIKey: YLBZZUDADDVEFK-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 490.853°C at 760 mmHg (Cal.)
• Flash point: 244.648°C (Cal.)