1-(4-Nitrophenyl)Butane-1,3-Dione
[CAS# 4023-82-9]

Identification

• Name: 1-(4-Nitrophenyl)Butane-1,3-Dione
• Synonyms: (P-Nitrobenzoyl)Acetone; 1,3-Butanedione, 1-(4-Nitrophenyl)-; 1,3-Butanedione, 1-(P-Nitrophenyl)-
• Molecular Formula: C₁₀H₉NO₄
• Molecular Weight: 207.19
• CAS Registry Number: 4023-82-9
• SMILES: C1=CC(=CC=C1C(CC(C)=O)=O)[N+](=O)[O-]
• InChI: 1S/C10H9NO4/c1-7(12)6-10(13)8-2-4-9(5-3-8)11(14)15/h2-5H,6H2,1H3
• InChIKey: UUFHFNDYTYXICJ-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 345.785°C at 760 mmHg (Cal.)
• Flash point: 166.834°C (Cal.)

References

• (1): Federico Berti, Simone Bincoletto, Ivan Donati, Giampaolo Fontanive, Massimo Fregonese and Fabio Benedetti. Albumin-directed stereoselective reduction of 1,3-diketones and β-hydroxyketones to anti diols, Org. Biomol. Chem., 2011, 9, 1987.