2-(2,4-Dinitrophenyl)Acetoacetic Acid Ethyl Ester
[CAS# 5465-68-9]

Identification

• Name: 2-(2,4-Dinitrophenyl)Acetoacetic Acid Ethyl Ester
• Synonyms: Ethyl 2-(2,4-Dinitrophenyl)-3-Oxo-Butanoate; 2-(2,4-Dinitrophenyl)-3-Oxobutanoic Acid Ethyl Ester; 2-(2,4-Dinitrophenyl)-3-Keto-Butyric Acid Ethyl Ester
• Molecular Formula: C₁₂H₁₂N₂O₇
• Molecular Weight: 296.24
• CAS Registry Number: 5465-68-9
• SMILES: C1=CC(=CC(=C1C(C(C)=O)C(OCC)=O)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C12H12N2O7/c1-3-21-12(16)11(7(2)15)9-5-4-8(13(17)18)6-10(9)14(19)20/h4-6,11H,3H2,1-2H3
• InChIKey: KUXDAXQUXQMFED-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 443.106°C at 760 mmHg (Cal.)
• Flash point: 194.589°C (Cal.)