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| | Ethyl trichloroacetate Basic information |
| | Ethyl trichloroacetate Chemical Properties |
| Melting point | 237 °C | | Boiling point | 168 °C (lit.) | | density | 1.378 g/mL at 25 °C (lit.) | | vapor pressure | 2.34hPa at 25℃ | | refractive index | n20/D 1.453(lit.) | | Fp | 149 °F | | storage temp. | Store below +30°C. | | solubility | alcohol: miscible(lit.) | | form | clear liquid | | color | Colorless to Almost colorless | | Water Solubility | immiscible | | Merck | 14,9627 | | BRN | 1761567 | | Dielectric constant | 7.8(20℃) | | InChI | 1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 | | InChIKey | SJMLNDPIJZBEKY-UHFFFAOYSA-N | | SMILES | CCOC(=O)C(Cl)(Cl)Cl | | LogP | 2.22 at 25℃ | | CAS DataBase Reference | 515-84-4(CAS DataBase Reference) | | NIST Chemistry Reference | Acetic acid, trichloro-, ethyl ester(515-84-4) | | EPA Substance Registry System | Acetic acid, trichloro-, ethyl ester (515-84-4) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-36/37/38 | | Safety Statements | 26-37/39-24/25 | | RIDADR | 2810 | | WGK Germany | 1 | | TSCA | TSCA listed | | HS Code | 29154000 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Skin Irrit. 2 |
| | Ethyl trichloroacetate Usage And Synthesis |
| Chemical Properties | Colorless liquid with a menthol-like odor. It is miscible with ethanol, ether and benzene, but insoluble in water. | | Uses | Ethyl trichloroacetate was used in the synthesis of dichlorocarbon precursor, phenyl(trichloromethyl)methyl. | | Application | Ethyl trichloroacetate can be used as solvent, organic synthesis, perfume and pharmaceutical intermediates. | | Preparation | Ethyl trichloroacetate is synthesized from trichloroacetic acid and ethyl alcohol by the esterification reaction.
synthesis steps: Trichloroacetic acid(TCA), anhydrous ethyl alcohol and sulfuric acid are heated together and refluxed for 6 h. After cooling, the ester layer is separated by pouring into water, neutralized with 5-10% sodium carbonate solution, washed with water and dried overnight with anhydrous calcium chloride. After filtration, distillation was carried out to obtain the finished product. Yield 75%. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 46, p. 3519, 1981 DOI: 10.1021/jo00330a028 | | General Description | Ethyl trichloroacetate undergoes atom-transfer radical addition reaction with styrene catalyzed by the Ru-pentamethylcyclopentadienyl complexes. | | Purification Methods | Shake the ester with saturated aqueous Na2CO3 (three times), aqueous 50% CaCl2 (three times), saturated aqueous NaCl (twice), then distil over CaCl2 and redistil it under reduced pressure. [Beilstein 2 IV 514.] |
| | Ethyl trichloroacetate Preparation Products And Raw materials |
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