6-Hydroxy-1-nitrobenzo(e)pyrene
[CAS# 115664-50-1]

Identification

• Name: 6-Hydroxy-1-nitrobenzo(e)pyrene
• Synonyms: 1-Nitrobenzo(E)Pyren-6-Ol; 6-Hydroxy-1-Nitrobenzo(E)Pyrene; Benzo(E)Pyren-3-Ol, 8-Nitro-
• Molecular Formula: C₂₀H₁₁NO₃
• Molecular Weight: 313.31
• CAS Registry Number: 115664-50-1
• SMILES: C1=CC(=C5C2=C4C(=C3C(=C12)C=CC=C3)C(=CC=C4C=C5)[N+]([O-])=O)O
• InChI: 1S/C20H11NO3/c22-17-10-8-14-12-3-1-2-4-13(12)20-16(21(23)24)9-6-11-5-7-15(17)19(14)18(11)20/h1-10,22H
• InChIKey: RFVBTMAHKTUIBO-UHFFFAOYSA-N

Properties

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