3,6-Dinitrobenzo[a]Pyrene
[CAS# 128714-76-1]

Identification

• Name: 3,6-Dinitrobenzo[a]Pyrene
• Synonyms: 3,6-Dinitrobenzo(A)Pyrene; Brn 4330648; Benzo(A)Pyrene, 3,6-Dinitro-
• Molecular Formula: C₂₀H₁₀N₂O₄
• Molecular Weight: 342.31
• CAS Registry Number: 128714-76-1
• SMILES: C4=C(C5=C3C2=C(C(=C1C=CC=CC1=C2C=CC3=C4)[N+]([O-])=O)C=C5)[N+]([O-])=O
• InChI: 1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H
• InChIKey: FZBOFNLBBMIJMT-UHFFFAOYSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 587.581°C at 760 mmHg (Cal.)
• Flash point: 292.219°C (Cal.)