1-Nitro-3-Acetoxypyrene
[CAS# 99217-04-6]

Identification

• Name: 1-Nitro-3-Acetoxypyrene
• Synonyms: Acetic Acid (3-Nitro-1-Pyrenyl) Ester; Acetic Acid (3-Nitropyren-1-Yl) Ester; (3-Nitropyren-1-Yl) Ethanoate
• Molecular Formula: C₁₈H₁₁NO₄
• Molecular Weight: 305.29
• CAS Registry Number: 99217-04-6
• SMILES: C1=C([N+]([O-])=O)C2=CC=C3C=CC=C4C=CC(=C1OC(C)=O)C2=C34
• InChI: 1S/C18H11NO4/c1-10(20)23-16-9-15(19(21)22)13-7-5-11-3-2-4-12-6-8-14(16)18(13)17(11)12/h2-9H,1H3
• InChIKey: MLXPFKTZYAVEFB-UHFFFAOYSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 501.057°C at 760 mmHg (Cal.)
• Flash point: 223.426°C (Cal.)