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54527-68-3

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54527-68-3 Structure

54527-68-3 Structure
IdentificationBack Directory
[Name]

3-Oxobutyric acid 2-chloroethyl ester
[CAS]

54527-68-3
[Synonyms]

2-chloroethyl 3-oxobutanoate
3-Oxobutyric acid 2-chloroethyl ester
3-Oxobutanoic acid 2-chloroethyl ester
Butanoic acid, 3-oxo-, 2-chloroethyl ester
[Molecular Formula]

C6H9ClO3
[MOL File]

54527-68-3.mol
[Molecular Weight]

164.59
Chemical PropertiesBack Directory
[Boiling point ]

231.44°C (rough estimate)
[density ]

1.2055
[refractive index ]

1.4430 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

10.23±0.46(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C6H9ClO3/c1-5(8)4-6(9)10-3-2-7/h2-4H2,1H3
[InChIKey]

JAEUQHNZRROYID-UHFFFAOYSA-N
[SMILES]

C(OCCCl)(=O)CC(=O)C
[EPA Substance Registry System]

2-Chloroethyl acetoacetate (54527-68-3)
Questions And AnswerBack Directory
[Uses]

2-Chloroethyl 3-oxobutyrate is a carboxylic acid ester derivative that can be used as an intermediate in organic synthesis.
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Synthesis Reference(s)]

Tetrahedron Letters, 37, p. 233, 1996 DOI: 10.1016/0040-4039(95)02136-1
Spectrum DetailBack Directory
[Spectrum Detail]

3-Oxobutyric acid 2-chloroethyl ester(54527-68-3)1HNMR
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