1,8-Dinitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene
[CAS# 120812-52-4]

Identification

• Name: 1,8-Dinitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene
• Synonyms: 1,8-Dinitro-H4-Benzo(E)Pyrene; 9,10,11,12-Tetrahydro-1,8-Dinitrobenzo(E)Pyrene; Benzo(E)Pyrene, 9,10,11,12-Tetrahydro-1,8-Dinitro-
• Molecular Formula: C₂₀H₁₄N₂O₄
• Molecular Weight: 346.34
• CAS Registry Number: 120812-52-4
• SMILES: C2=CC3=CC=C4C=CC(=C5C1=C(CCCC1)C(=C2[N+]([O-])=O)C3=C45)[N+]([O-])=O
• InChI: 1S/C20H14N2O4/c23-21(24)15-9-7-11-5-6-12-8-10-16(22(25)26)20-14-4-2-1-3-13(14)19(15)17(11)18(12)20/h5-10H,1-4H2
• InChIKey: BGRKSNLDCBTZRS-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 579.303°C at 760 mmHg (Cal.)
• Flash point: 284.001°C (Cal.)