1,6-Dinitrobenzo[b]Pyrene
[CAS# 128714-75-0]

Identification

• Name: 1,6-Dinitrobenzo[b]Pyrene
• Synonyms: Benzo(A)Pyrene, 1,6-Dinitro-; Ccris 4101; 1,6-Dinitrobenzo(A)Pyrene
• Molecular Formula: C₂₀H₁₀N₂O₄
• Molecular Weight: 342.31
• CAS Registry Number: 128714-75-0
• SMILES: C3=CC2=C1C=CC=CC1=C([N+]([O-])=O)C5=C2C4=C3C(=CC=C4C=C5)[N+]([O-])=O
• InChI: 1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22(25)26/h1-10H
• InChIKey: ZBUIFCQCAOFRJN-UHFFFAOYSA-N

Properties

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