3-Hydroxy-6-Nitrobenzo(A)Pyrene
[CAS# 82039-09-6]

Identification

• Name: 3-Hydroxy-6-Nitrobenzo(A)Pyrene
• Synonyms: 4-Nitro-1-Benzo[I]Pyrenol; 3-Hydroxy-6-Nitrobenzo(A)Pyrene; 6-Nitrobenzo(A)Pyren-3-Ol
• Molecular Formula: C₂₀H₁₁NO₃
• Molecular Weight: 313.31
• CAS Registry Number: 82039-09-6
• SMILES: C3=C1C=C5C(=C4C1=C2C(=C(C=CC2=C3[N+]([O-])=O)O)C=C4)C=CC=C5
• InChI: 1S/C20H11NO3/c22-18-8-7-15-17(21(23)24)10-12-9-11-3-1-2-4-13(11)14-5-6-16(18)20(15)19(12)14/h1-10,22H
• InChIKey: OISGCZPPZGEACZ-UHFFFAOYSA-N

Properties

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