3,6-Dimethylbenzo[a]Pyrene
[CAS# 16757-91-8]

Identification

• Name: 3,6-Dimethylbenzo[a]Pyrene
• Synonyms: 3,6-Dimethylbenz(A)Pyrene; 3,6-Dimethylbenzo(A)Pyrene; Benzo(A)Pyrene, 3,6-Dimethyl-
• Molecular Formula: C₂₂H₁₆
• Molecular Weight: 280.37
• CAS Registry Number: 16757-91-8
• SMILES: C4=CC2=C1C5=C(C=CC1=C3C(=C2C)C=CC=C3)C=CC(=C45)C
• InChI: 1S/C22H16/c1-13-7-8-15-9-10-20-19-6-4-3-5-17(19)14(2)18-12-11-16(13)21(15)22(18)20/h3-12H,1-2H3
• InChIKey: ZLEKZYUYMYKKML-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 491.467°C at 760 mmHg (Cal.)
• Flash point: 245.015°C (Cal.)