3-(M-Nitrobenzylidene)-2,4-Pentanedione
[CAS# 29197-19-1]

Identification

• Name: 3-(M-Nitrobenzylidene)-2,4-Pentanedione
• Synonyms: 3-(2-Acetyl-3-Oxobut-1-Enyl)-N-Hydroxybenzeneamine Oxide; 3-[[3-(Hydroxy-Oxidoamino)Phenyl]Methylidene]Pentane-2,4-Dione; 3-[(3-Nitrophenyl)Methylene]Pentane-2,4-Dione
• Molecular Formula: C₁₂H₁₁NO₄
• Molecular Weight: 233.22
• CAS Registry Number: 29197-19-1
• SMILES: C1=C(C=C(C(C)=O)C(C)=O)C=CC=C1[N+]([O-])=O
• InChI: 1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-4-3-5-11(6-10)13(16)17/h3-7H,1-2H3
• InChIKey: UXGCGDAMTXPIIJ-UHFFFAOYSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 442.646°C at 760 mmHg (Cal.)
• Flash point: 223.102°C (Cal.)

References

• (1): Chuanbing Wu . 3-(3-Nitrobenzylidene)pentane-2,4-dione , Acta Cryst (2009). E65, o210Â Â