6-Nitrobenzo(a)Pyren-7-Ol Acetate (Ester)
[CAS# 119087-37-5]

Identification

• Name: 6-Nitrobenzo(a)Pyren-7-Ol Acetate (Ester)
• Synonyms: Acetic Acid (6-Nitro-7-Benzo[B]Pyrenyl) Ester; Acetic Acid (6-Nitrobenzo[B]Pyren-7-Yl) Ester; (6-Nitrobenzo[B]Pyren-7-Yl) Ethanoate
• Molecular Formula: C₂₂H₁₃NO₄
• Molecular Weight: 355.35
• CAS Registry Number: 119087-37-5
• SMILES: C3=CC1=CC=CC2=CC=C4C(=C12)C3=C([N+]([O-])=O)C5=C(OC(=O)C)C=CC=C45
• InChI: 1S/C22H13NO4/c1-12(24)27-18-7-3-6-15-16-10-8-13-4-2-5-14-9-11-17(20(16)19(13)14)22(21(15)18)23(25)26/h2-11H,1H3
• InChIKey: OLSYDJUQRUQUFT-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 580.898°C at 760 mmHg (Cal.)
• Flash point: 250.805°C (Cal.)