54527-68-3

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54527-68-3 Structure

Identification	Back 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 Properties	Back 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)
[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)

Hazard Information	Back Directory
[Synthesis Reference(s)] Tetrahedron Letters, 37, p. 233, 1996 DOI: 10.1016/0040-4039(95)02136-1

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