3-(3-Hydroxy-4-Methoxy-5-Nitrobenzylidene)-2,4-Pentanedione
[CAS# 118724-88-2]

Identification

• Name: 3-(3-Hydroxy-4-Methoxy-5-Nitrobenzylidene)-2,4-Pentanedione
• Synonyms: 3-[(3-Hydroxy-4-Methoxy-5-Nitro-Phenyl)Methylene]Pentane-2,4-Dione; 3-[(3-Hydroxy-4-Methoxy-5-Nitrophenyl)Methylene]Pentane-2,4-Dione; 3-(3-Hydroxy-4-Methoxy-5-Nitro-Benzylidene)Pentane-2,4-Dione
• Molecular Formula: C₁₃H₁₃NO₆
• Molecular Weight: 279.25
• CAS Registry Number: 118724-88-2
• SMILES: C1=C(C=C(O)C(=C1[N+]([O-])=O)OC)C=C(C(=O)C)C(=O)C
• InChI: 1S/C13H13NO6/c1-7(15)10(8(2)16)4-9-5-11(14(18)19)13(20-3)12(17)6-9/h4-6,17H,1-3H3
• InChIKey: HIEZRGPTEOHFQX-UHFFFAOYSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 550.801°C at 760 mmHg (Cal.)
• Flash point: 286.915°C (Cal.)