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| | Ethyl 4,4,4-trifluoroacetoacetate Basic information |
| Product Name: | Ethyl 4,4,4-trifluoroacetoacetate | | Synonyms: | Ethyl4,4,-Trifluoroacetoacetate;Ethyltrifluoroacetoacetate,98+%;ETHYL 4,4,4-TRIFLUOROACETYLACETATE;1-Ethoxy-4,4,4-trifluorobutane-1,3-dione;Ethyl 3-oxo-4,4,4-trifluorobutanoate;Ethyl 4,4,4-trifluoro-3-oxobutyrate;(Trifluoroacetyl)acetic acid ethyl ester;2-(Trifluoroacetyl)acetic acid ethyl ester | | CAS: | 372-31-6 | | MF: | C6H7F3O3 | | MW: | 184.11 | | EINECS: | 206-750-7 | | Product Categories: | Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry;Aliphatics;Esters;Organic Fluorides;Fluorochemicals;Pharmaceutical Intermediates;top;bc0001;372-31-6 | | Mol File: | 372-31-6.mol |  |
| | Ethyl 4,4,4-trifluoroacetoacetate Chemical Properties |
| Melting point | -39 °C | | Boiling point | 129-130 °C(lit.) | | density | 1.259 g/mL at 25 °C(lit.) | | vapor pressure | 8hPa at 20℃ | | refractive index | n20/D 1.375(lit.) | | Fp | 84 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | 10g/l | | form | Liquid | | pka | 7.76±0.10(Predicted) | | color | Clear colorless to slightly yellow | | Specific Gravity | 1.259 (20/4℃) | | PH | 6.2 (10g/l, H2O, 20℃) | | Water Solubility | 10 g/L (20 ºC) | | BRN | 608353 | | InChI | 1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3 | | InChIKey | OCJKUQIPRNZDTK-UHFFFAOYSA-N | | SMILES | CCOC(=O)CC(=O)C(F)(F)F | | CAS DataBase Reference | 372-31-6(CAS DataBase Reference) | | NIST Chemistry Reference | Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6) | | EPA Substance Registry System | Ethyl 4,4,4-trifluoroacetoacetate (372-31-6) |
| Hazard Codes | Xn,F,C,Xi | | Risk Statements | 10-22-52/53 | | Safety Statements | 61-16 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 2 | | Hazard Note | Flammable/Corrosive | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29183000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Flam. Liq. 3 |
| | Ethyl 4,4,4-trifluoroacetoacetate Usage And Synthesis |
| Chemical Properties | Clear liquid | | Uses | Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet | | Uses | Widely used in the synthetic process of medicine, pesticides and organic intermediate. | | Uses | Ethyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents. | | Flammability and Explosibility | Flammable | | Synthesis | With an ethanol solution of sodium ethoxide as a catalyst and in the presence of an organic solvent, ethyl trifluoroacetate and ethyl acetate are subjected to a Claisen condensation reaction, and ethyl 4,4,4-trifluoroacetoacetate is synthesized. | | References | [1] Journal of Fluorine Chemistry, 1982, vol. 20, p. 187
[2] Patent: CN103214355, 2016, B. Location in patent: Paragraph 0076
[3] Bulletin des Societes Chimiques Belges, 1926, vol. 35, p. 414
[4] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1926, vol. <5> 12, p. 680,692
[5] Chem. Zentralbl., 1927, vol. 98, # I, p. 996,1286 |
| | Ethyl 4,4,4-trifluoroacetoacetate Preparation Products And Raw materials |
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