Ethyl 4,4,4-trifluoro-2-butynoate

ALDRICH/401455 - 97%

CAS Number: 79424-03-6
Empirical Formula (Hill Notation): C₆H₅F₃O₂
Molecular Weight: 166.10
MDL Number: MFCD00192167
Linear Formula: CF₃C≡CCO₂C₂H₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-401455-500MG	500 mg	$83.80 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	96-98 °C (lit.)
density	1.162 g/mL at 25 °C (lit.)
form	liquid
functional group	ester
	fluoro
InChI	1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChI key	SFDRHPQGYUYYNX-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.350 (lit.)
SMILES string	CCOC(=O)C#CC(F)(F)F

Application:	Ethyl 4,4,4-trifluoro-2-butynoate has been used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes. It may be used in the synthesis of the following compounds : • (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(5-(ethoxycarbonyl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate • (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(6-(ethoxycarbonyl)-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1Hbenzo[f]isochromene-7-carboxylate
General description:	Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.
Packaging:	500 mg in amber glass bottle

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H225 - H315 - H319 - H335
Precautionary statements	P210 - P302 + P352 - P305 + P351 + P338
Hazard Codes	F,Xi
Risk Statements	11-36/37/38
Safety Statements	16-26-36/37/39
RIDADR	UN 3272 3 / PGII
WGK Germany	WGK 3
Flash Point(F)	42.8 °F - closed cup
Flash Point(C)	6 °C - closed cup

Purity	97%
bp	96-98 °C (lit.)
Density	1.162 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.350 (lit.)
UNSPSC	12352100

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