Ethyl 4,4,4-trifluoroacetoacetate
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Ethyl 4,4,4-trifluoroacetoacetate
structure -
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CAS No:
372-31-6
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Formula:
C6H7F3O3
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Chemical Name:
Ethyl 4,4,4-trifluoroacetoacetate
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Synonyms:
Butanoic acid,4,4,4-trifluoro-3-oxo-,ethyl ester;Acetoacetic acid,4,4,4-trifluoro-,ethyl ester;Ethyl 4,4,4-trifluoroacetoacetate;Ethyl (trifluoroacetyl)acetate;Ethyl γ,γ,γ-trifluoroacetoacetate;Ethyl 4,4,4-trifluoro-3-oxobutanoate;Ethyl 4,4,4-trifluoro-3-oxobutyrate;Ethyl 3-oxo-4,4,4-trifluorobutanoate;Ethyl trifluoroacetoacetate;Ethyl ω,ω,ω-trifluoroacetoacetate;Ethyl 4,4,4-trifluoroacetylacetonate;1-Ethoxy-4,4,4-trifluorobutane-1,3-dione;4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester;4,4,4-Trifluoroacetoacetic acid ethyl ester;NSC 42739;NSC 49750;4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester;Ethyl-4,4,4-trifloro-3-oxo-butanoate
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CAS No:
Ethyl 4,4,4-trifluoroacetoacetate Basic Attributes
184.11300
184.11
206-750-7
42739
DTXSID5059905
2942000000
Characteristics
43.37000
1.07100
Liquid
1.259
-39ºC
133 °C
28ºC
1.375-1.378
H2O: 10 g/L (20 ºC)
Flammables area
Safety Information
III
3
UN 3272
2
R10; R22
S16
Xn
Stable under normal temperatures and pressures.
P273
H226-H302-H412
Ethyl 4,4,4-trifluoroacetoacetate Use and Manufacturing
1. Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet
2. Widely used in the synthetic process of medicine, pesticides and organic intermediate.
3. 4,4,4-Trifluoro-3-oxobutanoic Acid Ethyl Ester is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.
Intermediates
Pesticide, fertilizer, and other agricultural chemical manufacturing|Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester: ACTIVE
Computed Properties
Molecular Weight:184.11
XLogP3:1.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:184.03472857
Monoisotopic Mass:184.03472857
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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Ethyl 4,4,4-trifluoroacetoacetate
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