Methyl 2-[2-(2-Nitrophenyl)Ethyl]-3-Oxo-Butanoate
[CAS# 5345-21-1]

Identification

• Name: Methyl 2-[2-(2-Nitrophenyl)Ethyl]-3-Oxo-Butanoate
• Synonyms: Methyl 2-[2-(2-Nitrophenyl)Ethyl]-3-Oxo-Butanoate; 2-[2-(2-Nitrophenyl)Ethyl]-3-Oxobutanoic Acid Methyl Ester; 3-Keto-2-[2-(2-Nitrophenyl)Ethyl]Butyric Acid Methyl Ester
• Molecular Formula: C₁₃H₁₅NO₅
• Molecular Weight: 265.27
• CAS Registry Number: 5345-21-1
• SMILES: C1=CC=CC(=C1CCC(C(C)=O)C(OC)=O)[N+]([O-])=O
• InChI: 1S/C13H15NO5/c1-9(15)11(13(16)19-2)8-7-10-5-3-4-6-12(10)14(17)18/h3-6,11H,7-8H2,1-2H3
• InChIKey: IPZPRFPPFMZPCX-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 403.483°C at 760 mmHg (Cal.)
• Flash point: 171.662°C (Cal.)