1,3-Dinitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene
[CAS# 120812-50-2]

Identification

• Name: 1,3-Dinitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene
• Synonyms: 1,3-Dinitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene; 1,3-Dinitro-H4-Benzo(E)Pyrene; 9,10,11,12-Tetrahydro-1,3-Dinitrobenzo(E)Pyrene
• Molecular Formula: C₂₀H₁₄N₂O₄
• Molecular Weight: 346.34
• CAS Registry Number: 120812-50-2
• SMILES: C2=C([N+]([O-])=O)C3=C1CCCCC1=C4C=CC=C5C=CC(=C2[N+]([O-])=O)C3=C45
• InChI: 1S/C20H14N2O4/c23-21(24)16-10-17(22(25)26)19-14-6-2-1-5-12(14)13-7-3-4-11-8-9-15(16)20(19)18(11)13/h3-4,7-10H,1-2,5-6H2
• InChIKey: SQVATHOPVKLFQL-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 560.728°C at 760 mmHg (Cal.)
• Flash point: 272.59°C (Cal.)