CAS No.13081-18-0,Ethyl trifluoropyruvate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13081-18-0
Name:	Ethyl trifluoropyruvate
Article Data:	10

Formula:	C₅H₅F₃O₃
Molecular Weight:	170.088
Synonyms:	Pyruvicacid, trifluoro-, ethyl ester (7CI);3,3,3-Trifluoro-2-oxopropanoic acid ethylester;Ethyl 2-oxo-3,3,3-trifluoropropanoate;Ethyl3,3,3-trifluoro-2-oxopropanoate;
Density:	1.328 g/cm³
Boiling Point:	88.1 °C at 760 mmHg
Flash Point:	8.1 °C
Appearance:	Yellow to pale yellow clear liquid
Hazard Symbols:	Xn,C,Xi
Risk Codes:	10-22-36/37/38
Safety:	26-37/39-16
Transport Information:	UN 3272 3/PG 3
PSA:	43.37000
LogP:	0.68090

Synthetic route

: 10186-66-0
2-fluoro-2-ethoxy-trifluoropropionic acid ethyl ester

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
With SbF5	83%
With sulfuric acid; silica gel
With sulfuric acid; silica gel at 140℃;

: 10186-66-0
2-fluoro-2-ethoxy-trifluoropropionic acid ethyl ester

A: 353-36-6
1-fluoroethane

B: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
antimony pentafluoride In neat (no solvent)	A n/a B 83%

: 94726-00-8
ethyl 3,3,3-trifluoro-2-hydroxypropanoate

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
With sodium hypochlorite pentahydrate In acetonitrile at 20℃; for 0.5h; Reagent/catalyst; Solvent;	69%

: 26728-43-8
ethyl 3,3,3-trifluoropyruvate ethylhemiketal

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
With sulfuric acid under 16.5017 - 49.505 Torr;	67%

: 75-63-8
Bromotrifluoromethane

: 95-92-1
oxalic acid diethyl ester

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
With zinc In pyridine at 20℃; for 2h; other esters; other perfluoroalkyl iodide;	38%
With zinc In pyridine at 20℃; for 2h;	38%
With zinc In pyridine at 20℃; 1) pyridine, 20 deg C;	38%

: 64-17-5
ethanol

: 10321-14-9
α,α-dihydroxyperfluoropropionic acid

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

Conditions

Conditions	Yield
With hydrogenchloride Heating;

: 428-59-1
Hexafluoropropene oxide

: 64-17-5
ethanol

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

: 300-57-2
allylbenzene

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

: (E)-2-hydroxy-5-phenyl-2-trifluoromethyl-pent-4-enoic acid ethyl ester

Conditions

Conditions	Yield
silver hexafluoroantimonate; (S)-SEGPHOS-PdCl2 In dichloromethane at 20℃; for 0.5h; Ene reaction;	100%
With silver hexafluoroantimonate; (R)-(2,2'-bis(diphenylphosphanyl)biphenyl)dichloroplatinum(II) In dichloromethane at -20℃; for 1h;	83%

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

: 1192-37-6
methylenecyclohexane

: ethyl 2-(cyclohexenylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate

Conditions

Conditions	Yield
silver hexafluoroantimonate; (S)-SEGPHOS-PdCl2 In dichloromethane at 20℃; for 0.25h; Ene reaction;	100%
With silver hexafluoroantimonate; [(R)-BINAPHANE]PdCl2 In dichloromethane at 20℃; for 1h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	78%
With silver hexafluoroantimonate; chiral SEGPHOS-Pd(II) In dichloromethane at 20℃; for 0.25h; Friedel-Crafts reaction;

: 300-57-2
allylbenzene

: 13081-18-0
ethyl-3,3,3-trifluoropyruvate

: 2-hydroxy-5-phenyl-2-trifluoromethyl-pent-4-enoic acid ethyl ester

Conditions

Conditions	Yield
With silver hexafluoroantimonate; chiral SEGPHOS-Pd(II) In dichloromethane at 20℃; for 0.5h; Friedel-Crafts reaction;	100%

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Chemistry

Product Name: Ethyl trifluoropyruvate (CAS NO.13081-18-0)

Molecular Formula: C₅H₅F₃O₃
Molecular Weight: 170.09g/mol
Mol File: 13081-18-0.mol
Density: 1.328 g/cm³
Boiling point: 88.1°C at 760 mmHg
Flash point: 8.1°C
Index of Refraction:1.348
Molar Refractivity:27.47 cm³
Surface Tension: 24.3 dyne/cm
Enthalpy of Vaporization: 32.83 kJ/mol
Vapour Pressure: 62 mmHg at 25°C
Appearance:yellow to pale yellow clear liquid
IUPAC Name:ethyl 3,3,3-trifluoro-2-oxopropanoate

Safety Profile

Hazard Codes:Xn,C,Xi
Xn:Harmful
C:Corrosive
Xi:Irritant
Risk Statements:
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition - No smoking.
RIDADR:UN 3272 3/PG 3
WGK Germany :3
Hazard Note:Corrosive
HazardClass3
PackingGroup:III

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