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Ethyl trifluoroacetate
[CAS# 383-63-1]

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Identification
Classification Chemical reagent >> Organic reagent >> Ester >> Ethyl ester compound
Name Ethyl trifluoroacetate
Synonyms Ethyl 2,2,2-trifluoroacetate
Molecular Structure CAS # 383-63-1, Ethyl trifluoroacetate, Ethyl 2,2,2-trifluoroacetate
Molecular Formula C4H5F3O2
Molecular Weight 142.08
CAS Registry Number 383-63-1
EC Number 206-851-6
SMILES CCOC(=O)C(F)(F)F
Properties
Water solubility Hydrolysis
Density 1.2±0.1 g/cm3, Calc.*, 1.194 g/mL (Expl.)
Melting point -78 ºC (Expl.)
Index of Refraction 1.322, Calc.*, 1.3067 (Expl.)
Boiling Point 61.5±3.0 ºC (760 mmHg), Calc.*, 60-62 ºC (Expl.)
Flash Point -1.1±0.0 ºC, Calc.*, -1 ºC (Expl.)
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol symbol symbol   GHS02;GHS05;GHS07 Danger    Details
Hazard Statements H225-H302-H315-H318-H319-H335-H411    Details
Precautionary Statements P210-P233-P240-P241-P242-P243-P261-P264-P264+P265-P270-P271-P273-P280-P301+P317-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P305+P354+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501    Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Flammable liquidsFlam. Liq.2H225
Eye irritationEye Irrit.2H319
Chronic hazardous to the aquatic environmentAquatic Chronic3H412
Serious eye damageEye Dam.1H318
Skin irritationSkin Irrit.2H315
Specific target organ toxicity - single exposureSTOT SE3H335
Acute toxicityAcute Tox.4H302
Skin corrosionSkin Corr.1BH314
Transport Information UN 1993
SDS Available
up Discovory and Applicatios
Ethyl trifluoroacetate is an organic compound with the chemical formula C4H5F3O2. It is an ester of trifluoroacetic acid and ethanol, and it belongs to the class of trifluoromethylated compounds. Trifluoromethylated esters, like ethyl trifluoroacetate, are known for their unique electronic properties, primarily derived from the electron-withdrawing nature of the trifluoromethyl group. These compounds have attracted considerable attention in various fields, particularly in organic synthesis and the pharmaceutical industry.

The discovery of ethyl trifluoroacetate can be traced back to the increasing interest in trifluoromethylated compounds in the mid-20th century. The trifluoromethyl group, due to its electron-withdrawing effect, enhances the reactivity and stability of molecules, making them valuable intermediates in synthetic chemistry. Ethyl trifluoroacetate is commonly used in organic synthesis as a versatile reagent and building block for the formation of various chemical compounds. Its utility is largely attributed to its ability to introduce the trifluoromethyl group into organic molecules, which can significantly alter the chemical and physical properties of the resultant compounds.

One of the key applications of ethyl trifluoroacetate is in the synthesis of pharmaceuticals. Trifluoromethylation is known to improve the bioavailability and metabolic stability of drug candidates. The trifluoromethyl group can enhance the lipophilicity of molecules, aiding their absorption and distribution within biological systems. Ethyl trifluoroacetate is often used as a precursor or reagent in the synthesis of biologically active compounds, including those with potential applications as anti-cancer agents, anti-inflammatory drugs, and enzyme inhibitors.

In addition to its pharmaceutical applications, ethyl trifluoroacetate is widely used in the preparation of agrochemicals and specialty chemicals. The trifluoromethyl group imparts resistance to chemical degradation, which can improve the stability and effectiveness of agrochemical agents. Moreover, ethyl trifluoroacetate is used in the synthesis of fluorinated polymers and other materials, where its properties are beneficial for enhancing performance characteristics, such as resistance to heat and chemicals.

Ethyl trifluoroacetate has also found applications in the field of analytical chemistry. It is used as a reagent in mass spectrometry for the derivatization of organic compounds, facilitating their detection and identification. Furthermore, it is employed in the preparation of fluoroalkylated products, which are useful in various chemical industries.
Market Analysis Reports
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