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| | Ethyl trifluoroacetate Basic information |
| | Ethyl trifluoroacetate Chemical Properties |
| Melting point | -78 °C | | Boiling point | 60-62 °C(lit.) | | density | 1.194 g/mL at 25 °C(lit.) | | vapor pressure | 18.5kPa at 20℃ | | refractive index | n20/D 1.307(lit.) | | Fp | 30 °F | | storage temp. | 2-8°C | | solubility | 4g/l | | pka | 0.43[at 20 ℃] | | form | Liquid | | color | Clear | | Specific Gravity | 1.194 | | PH | 4 (4g/l, H2O, 20℃) | | Water Solubility | HYDROLYSIS | | Sensitive | Moisture Sensitive | | BRN | 1761411 | | Henry's Law Constant | 8.9×10-4 mol/(m3Pa) at 25℃, Burkholder et al. (2019) | | Stability: | Hygroscopic, Moisture Sensitive, Volatile | | InChI | 1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 | | InChIKey | STSCVKRWJPWALQ-UHFFFAOYSA-N | | SMILES | CCOC(=O)C(F)(F)F | | LogP | 0.79-1.032 at 25℃ | | CAS DataBase Reference | 383-63-1(CAS DataBase Reference) | | NIST Chemistry Reference | Acetic acid, trifluoro-, ethyl ester(383-63-1) | | EPA Substance Registry System | Ethyl trifluoroacetate (383-63-1) |
| Hazard Codes | F,Xn,C | | Risk Statements | 11-22-37/38-41-34 | | Safety Statements | 9-16-26-36/39-45-36/37/39 | | RIDADR | UN 1993 3/PG 2 | | WGK Germany | 1 | | Hazard Note | Flammable/Corrosive | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29159080 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| | Ethyl trifluoroacetate Usage And Synthesis |
| Chemical Properties | Colorless to yellow liquid | | Uses | Widely used in the synthetic process of medicine, pesticides and organic intermediate. | | Uses | Ethyl Trifluoroacetate is an intermediate used in the synthesis of various pharmaceutically active molecules and agricultural products. Ethyl Trifluoroacetate is also useful for the preparation of tri
fluoroacylated compounds. | | Uses | Ethyl trifluoroacetate is used as an intermediate in organic synthesis to prepare organic fluorine compounds like 3-ethyl-1-methylimidazolium trifluoroacetate (EMITA). It is involved in the syntheses of various pharmaceutically active molecules and agricultural products. It is also useful for the preparation of tri fluoroacylated compounds. | | Definition | ChEBI: TRIFLUOROACETIC ACID ETHYL ESTER is an organohalogen compound. It is functionally related to a carboxylic acid. | | Preparation | Trifluoroacetic acid and ethanol were used as starting materials with strong-acid cation exchange resin as catalysts at 40 ~ 50 she℃. Add ethanol drop and temperature rising reflux divides the mixture of water and ethanol. After that, collect the mix of thick product ethanol and Ethyl trifluoroacetate. The crude product collected is added a small amount of water, and layering can obtain a content of more than 99.5%. The qualified product Ethyl trifluoroacetate, whose moisture is less than 0.1%, yields more than 95%. | | Synthesis Reference(s) | Journal of the American Chemical Society, 72, p. 3527, 1950 DOI: 10.1021/ja01164a056 | | Flammability and Explosibility | Highly flammable | | Purification Methods | Fractionate it through a long Vigreux column (p 11). IR has max at 1800 (CO2) and 1000 (OCO) cm-1 [Fuson et al. J Chem Phys 20 1627 1952, Bergman J Org Chem 23 476 1958]. [Beilstein 2 IV 463.] |
| | Ethyl trifluoroacetate Preparation Products And Raw materials |
| Raw materials | Trifluoroacetic acid-->Ethyl trifluoromethanesulfonate | | Preparation Products | 6,7-DIMETHOXY-3-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE-->HEXAFLUOROACETYLACETONE-->METHYL5,5,5-TRIFLUORO-4-OXOPENTANOATE-->2-AMINO-6-T-BUTYL-4-(TRIFLUOROMETHYL)PYRIMIDINE-->2-AMINO-4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDINE-->2-[1-METHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]-THIOPHENE-5-CARBOXALDEHYDE-->EUROPIUM D-3-TRIFLUOROACETYLCAMPHORATE-->3-TRIFLUOROACETYL-D-CAMPHOR-->Efavirenz-->1,1,1-Trifluoro-2-hexanone-->8-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBONITRILE-->4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE-->4,4,4-Trifluoro-1-phenyl-1,3-butanedione-->BENZALDEHYDE DIETHYL ACETAL-->1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE-->2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL-->3'-METHOXY-2,2,2-TRIFLUOROACETOPHENONE-->3-PHENYL-1,1,1-TRIFLUOROPROPAN-2-ONE-->1-(2-AMINO-5-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE |
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