1-Nitro-9,10,11,12-Tetrahydro-Benzo(E)Pyrene
[CAS# 120812-46-6]

Identification

• Name: 1-Nitro-9,10,11,12-Tetrahydro-Benzo(E)Pyrene
• Synonyms: 1-Nitro-9,10,11,12-Tetrahydrobenzo(E)Pyrene
• Molecular Formula: C₂₀H₁₅NO₂
• Molecular Weight: 301.34
• CAS Registry Number: 120812-46-6
• SMILES: C2=CC3=CC=C4C=CC=C5C1=C(CCCC1)C(=C2[N+]([O-])=O)C3=C45
• InChI: 1S/C20H15NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h3-4,7-11H,1-2,5-6H2
• InChIKey: KVTWJUNKDRKCGV-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 517.258°C at 760 mmHg (Cal.)
• Flash point: 251.869°C (Cal.)