1-Nitro-7,8,9,10-Tetrahydrobenzo[a]Pyren-7-Ol
[CAS# 120014-85-9]

Identification

• Name: 1-Nitro-7,8,9,10-Tetrahydrobenzo[a]Pyren-7-Ol
• Synonyms: 7,8,9,10-Tetrahydro-1-Nitrobenzo(A)Pyren-7-Ol; 7-Hydroxy-1-Nitro-7,8,9,10-Tetrahydrobenzo(A)Pyrene; Benzo(A)Pyren-7-Ol, 7,8,9,10-Tetrahydro-1-Nitro-
• Molecular Formula: C₂₀H₁₅NO₃
• Molecular Weight: 317.34
• CAS Registry Number: 120014-85-9
• SMILES: C2=C5C(=C4C3=C1C(=C([N+]([O-])=O)C=CC1=CC=C23)C=C4)CCCC5O
• InChI: 1S/C20H15NO3/c22-18-3-1-2-13-14-7-8-15-17(21(23)24)9-6-11-4-5-12(10-16(13)18)20(14)19(11)15/h4-10,18,22H,1-3H2
• InChIKey: ROUCWEBNTWMOKZ-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 572.365°C at 760 mmHg (Cal.)
• Flash point: 235.826°C (Cal.)