Ethyl 3,3,3-trifluoro-2-oxopropanoate
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Ethyl 3,3,3-trifluoro-2-oxopropanoate
structure -
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CAS No:
13081-18-0
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Formula:
C5H5F3O3
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Chemical Name:
Ethyl 3,3,3-trifluoro-2-oxopropanoate
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Synonyms:
Propanoic acid,3,3,3-trifluoro-2-oxo-,ethyl ester;Pyruvic acid,trifluoro-,ethyl ester;Ethyl 3,3,3-trifluoro-2-oxopropanoate;Ethyl trifluoropyruvate;3,3,3-Trifluoro-2-oxopropanoic acid ethyl ester;Ethyl 2-oxo-3,3,3-trifluoropropanoate;Trifluoropyruvic acid ethyl ester;Ethyl 3,3,3-trifluoropyruvate;1601473-12-4
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CAS No:
Ethyl 3,3,3-trifluoro-2-oxopropanoate Basic Attributes
170.09
170.09
2087388
603-440-7
DTXSID50371934
29183000
Characteristics
43.4
1.5
Clear colorless to pale yellow Liquid
1.283 g/mL at 25 °C(lit.)
42 °C(lit.)
88 °F
n 20/D 1.341(lit.)
Miscible with dichloromethane.
Refrigerator
Safety Information
III
3
UN 3272 3/PG 3
3
10-22-36/37/38
26-37/39-16
Xn,C,Xi
Corrosive
P261-P305 + P351 + P338
H226-H302-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 3,3,3-trifluoro-2-oxopropanoate Use and Manufacturing
To 58 mL (1.0 mL/mmol) of acetonitrile, 10 g (58 mmol, 1.0 eq) of ethyl 3, 3, 3-trifluorolactate was added and dissolved therein.
Trifluoropyruvic Acid Ethyl Ester is used as a reagent in the preparation of potential biologically active compounds such as in the highly enantioselective organocatalytic hydroxyalkylation of indoles.
Computed Properties
Molecular Weight:170.09
XLogP3:1.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:170.01907850
Monoisotopic Mass:170.01907850
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 3,3,3-trifluoro-2-oxopropanoate
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