1,1,1-Trifluoroacetylacetone

1,1,1-Trifluoroacetylacetone
Names
	Preferred IUPAC name 1,1,1-Trifluoropentane-2,4-dione
	Other names 1,1,1-Trifluoro-2,4-pentanedione, (trifluoroacetyl)acetone, 1,1,1-(trifluoroacetyl)acetone, 1,1,1-TFAA
Identifiers
CAS Number	367-57-7;
3D model (JSmol)	Interactive image;
ChemSpider	66573;
ECHA InfoCard	100.006.090
EC Number	206-698-5;
PubChem CID	73943;
UNII	9N20A8G8SW;
CompTox Dashboard (EPA)	DTXSID3059896 ;
	InChI InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3 Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N;
	SMILES CC(=O)CC(=O)C(F)(F)F;
Properties
Chemical formula	C5H4F3O2
Molar mass	153.080 gÂ·molâ1
Appearance	colorless liquid
Density	1.27 g/cm3
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H302, H312, H315, H319, H332
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P235, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 Â°C [77 Â°F], 100 kPa). Infobox references

1,1,1-Trifluoroacetylacetone is the organofluorine compound with the formula CF₃C(O)CH₂C(O)CH₃. It is a colorless liquid. Like other 1,3-diketones, it is used as a precursor to heterocycles, e.g. pyrazoles, and metal chelates.^[1] It is prepared by condensation of esters of trifluoroacetic acid with acetone.^[2]

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According to an analysis by proton NMR spectroscopy, the compound exists predominantly (97% at 33 Â°C, neat) as the enol. For comparison under the same conditions, the percent enol for acetylacetone and hexafluoroacetylacetone are 85 and 100%, respectively.^[3]

References