6-Nitro-4,5-Dihydrobenz[a]Pyrene
[CAS# 97931-39-0]

Identification

• Name: 6-Nitro-4,5-Dihydrobenz[a]Pyrene
• Synonyms: 4,5-Dihydro-6-Nitrobenzo(A)Pyrene; 6-Nitro-4,5-Dihydrobenzo(A)Pyrene; Benzo(A)Pyrene, 4,5-Dihydro-6-Nitro-
• Molecular Formula: C₂₀H₁₃NO₂
• Molecular Weight: 299.33
• CAS Registry Number: 97931-39-0
• SMILES: C4=CC=C3C=CC2=C1C=CC=CC1=C([N+]([O-])=O)C5=C2C3=C4CC5
• InChI: 1S/C20H13NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-8,10H,9,11H2
• InChIKey: OWKQOIGGVHVVQP-UHFFFAOYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 542.702°C at 760 mmHg (Cal.)
• Flash point: 269.525°C (Cal.)