1-Nitrobenzo(E)Pyren-8-Ol
[CAS# 115664-51-2]

Identification

• Name: 1-Nitrobenzo(E)Pyren-8-Ol
• Synonyms: 8-Hydroxy-1-Nitrobenzo(E)Pyrene; Benzo(E)Pyren-1-Ol, 8-Nitro-; Ccris 1532
• Molecular Formula: C₂₀H₁₁NO₃
• Molecular Weight: 313.31
• CAS Registry Number: 115664-51-2
• SMILES: C2=C5C4=C1C(=C(O)C=CC1=C2)C3=CC=CC=C3C4=C([N+]([O-])=O)C=C5
• InChI: 1S/C20H11NO3/c22-16-10-8-12-6-5-11-7-9-15(21(23)24)19-13-3-1-2-4-14(13)20(16)18(12)17(11)19/h1-10,22H
• InChIKey: JWOJCMLFEHGEJS-UHFFFAOYSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 592.674°C at 760 mmHg (Cal.)
• Flash point: 245.936°C (Cal.)