3-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene
[CAS# 88598-57-6]

Identification

• Name: 3-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene
• Synonyms: 3-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene; 3-Nitro-7,8,9,10-tetrahydro-benzo[def]chrysene; 7,8,9,10-Tetrahydro-3-nitrobenzo(a)pyrene
• Molecular Formula: C₂₀H₁₅NO₂
• Molecular Weight: 301.34
• CAS Registry Number: 88598-57-6
• SMILES: C1CCC2=C(C1)C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-]
• InChI: 1S/C20H15NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h5-11H,1-4H2
• InChIKey: GMGGMXJWIUFFNB-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 517.3±19.0°C at 760 mmHg (Cal.)
• Flash point: 251.9±14.3°C (Cal.)