Ethyl 4-(3-chlorophenyl)-3-oxobutanoate

Modify Date: 2025-09-01 09:32:33

Ethyl 4-(3-chlorophenyl)-3-oxobutanoate Structure
Ethyl 4-(3-chlorophenyl)-3-oxobutanoate structure
Common Name Ethyl 4-(3-chlorophenyl)-3-oxobutanoate
CAS Number 221122-22-1 Molecular Weight 240.683
Density 1.2±0.1 g/cm3 Boiling Point 320.6±22.0 °C at 760 mmHg
Molecular Formula C12H13ClO3 Melting Point N/A
MSDS N/A Flash Point 126.0±21.3 °C

 Names

Name ethyl 4-(3-chlorophenyl)-3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 320.6±22.0 °C at 760 mmHg
Molecular Formula C12H13ClO3
Molecular Weight 240.683
Flash Point 126.0±21.3 °C
Exact Mass 240.055328
PSA 43.37000
LogP 3.05
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.520
InChIKey FWNXDGGKZYXZFO-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)Cc1cccc(Cl)c1

 Synthetic Route

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Ethyl 4-(3-chlorophenyl)-3-oxobutanoate Structure

Ethyl 4-(3-chlo...

CAS#:221122-22-1

Literature: Frederick, Raphael; Robert, Severine; Charlier, Caroline; De Ruyck, Jerome; Wouters, Johan; Pirotte, Bernard; Masereel, Bernard; Pochet, Lionel Journal of Medicinal Chemistry, 2005 , vol. 48, # 24 p. 7592 - 7603

~%

Ethyl 4-(3-chlorophenyl)-3-oxobutanoate Structure

Ethyl 4-(3-chlo...

CAS#:221122-22-1

Literature: Frederick, Raphael; Robert, Severine; Charlier, Caroline; De Ruyck, Jerome; Wouters, Johan; Pirotte, Bernard; Masereel, Bernard; Pochet, Lionel Journal of Medicinal Chemistry, 2005 , vol. 48, # 24 p. 7592 - 7603

~%

Ethyl 4-(3-chlorophenyl)-3-oxobutanoate Structure

Ethyl 4-(3-chlo...

CAS#:221122-22-1

Literature: Mai, Antonello; Artico, Marino; Sbardella, Gianluca; Massa, Silvio; Novellino, Ettore; Greco, Giovanni; Loi, Anna Giulia; Tramontane, Enzo; Marongiu, Maria Elena; La Colla, Paolo Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 619 - 627

 Synonyms

3-Chloro-beta-oxo-benzenebutanoic acid ethyl ester
Ethyl 4-(3-chlorophenyl)-3-oxobutanoate
4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester
Benzenebutanoic acid, 3-chloro-β-oxo-, ethyl ester
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