Ethyl 3-(4-chlorophenyl)-2-oxopropanoate
[CAS# 99334-10-8]

Identification

• Name: Ethyl 3-(4-chlorophenyl)-2-oxopropanoate
• Synonyms: 3-(4-Chlorophenyl)-2-oxopropionic acid ethyl ester; Ethyl 3-(4-Chlorophenyl)-2-oxopropanoate; Ethyl 3-(4-chlorophenyl)-2-oxopropanoate, tech
• Molecular Formula: C₁₁H₁₁ClO₃
• Molecular Weight: 226.66
• CAS Registry Number: 99334-10-8
• SMILES: CCOC(=O)C(=O)CC1=CC=C(C=C1)Cl
• InChI: 1S/C11H11ClO3/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
• InChIKey: SSYWONPQBLHLSL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 325.1±25.0°C at 760 mmHg (Cal.)
• Flash point: 134.4±22.2°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Patricia Busca, Francesca Paradisi, Eamonn Moynihan, Anita R. Maguire and Paul C. Engel. Enantioselective synthesis of non-natural amino acids using phenylalanine dehydrogenases modified by site-directed mutagenesis, Org. Biomol. Chem., 2004, 2, 2684.