ETHYL 2,2,2-TRIFLUOROACETATE
Ethyl trifluoroacetate
CAS: 383-63-1
Molecular Formula: C4H5F3O2
ETHYL 2,2,2-TRIFLUOROACETATE - Names and Identifiers
| Name | Ethyl trifluoroacetate |
| Synonyms | cb1020 fd06h11 TIMTEC-BB SBB008466 RARECHEM AL BI 0416 Ethyltrifluoroacetate Ethyl trifluoroacetate ETHYL TRIFLUOROACETATE ETHYL 2,2,2-TRIFLUOROACETATE Ethyl 2,2,2-trifluoroacetate S-ethyl trifluoroethanethioate Trifluoroacetic acid ethyl ester TRIFLUOROACETIC ACID ETHYL ESTER Threetrifluoroacetic acid ethyl ester |
| CAS | 383-63-1 |
| EINECS | 206-851-6 |
| InChI | InChI=1/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| InChIKey | STSCVKRWJPWALQ-UHFFFAOYSA-N |
ETHYL 2,2,2-TRIFLUOROACETATE - Physico-chemical Properties
| Molecular Formula | C4H5F3O2 |
| Molar Mass | 142.08 |
| Density | 1.194g/mLat 25°C(lit.) |
| Melting Point | -78 °C |
| Boling Point | 60-62°C(lit.) |
| Flash Point | 30°F |
| Water Solubility | HYDROLYSIS |
| Solubility | 4g/l |
| Vapor Presure | 18.5kPa at 20℃ |
| Appearance | Liquid |
| Specific Gravity | 1.194 |
| Color | Clear |
| BRN | 1761411 |
| pKa | 0.43[at 20 ℃] |
| PH | 4 (4g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.307(lit.) |
| Physical and Chemical Properties | Density 1.194 melting point -78°C boiling point 60-62°C refractive index 1.306-1.308 flash point -1°C water-soluble hydrogen |
| Use | Used as pharmaceutical, pesticide intermediates |
ETHYL 2,2,2-TRIFLUOROACETATE - Risk and Safety
| Risk Codes | R11 - Highly Flammable R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R34 - Causes burns |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/39 - S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1993 3/PG 2 |
| WGK Germany | 1 |
| TSCA | T |
| HS Code | 29159080 |
| Hazard Note | Flammable/Corrosive |
| Hazard Class | 3 |
| Packing Group | II |
ETHYL 2,2,2-TRIFLUOROACETATE - Reference Information
| LogP | 0.79-1.032 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | ethyl trifluoroacetate is a volatile, colorless and transparent liquid with the smell of ester, easily soluble in ether, ethanol, chloroform, slightly soluble in water, and slowly hydrolyzed in water. The vapor of ethyl trifluoroacetate can form an explosive mixture with air. It is easy to burn and explode when exposed to open flames and high heat. It decomposes and releases highly toxic flue gas when exposed to high heat, which reacts violently with oxidant. |
| application | ethyl trifluoroacetate (ETFA), as an important organic chemical raw material, has a wide range of applications in the synthesis of organic fluorine compounds, medicines, pesticides, liquid crystals and dyes. The specific applications are as follows:(1) In medicine, mainly used in the production of anti-inflammatory drugs for osteoarthritis, anti-tumor drugs for the treatment of colon and rectal cancer, cardiovascular and cerebrovascular drugs-Lenopril, etc.;(2) In terms of pesticides, it is mainly used to make cell division Inhibitors are used to kill grass and broadleaf grass in cotton and peanut fields;(3) In terms of organic synthesis, because ethyl trifluoroacetate has a low removal rate in a mild environment, it is often used for the protection of amino groups. |
| use | for organic synthesis. Used as medicine and pesticide intermediates As a fine intermediate, it is widely used in the synthesis of fluorine-containing pesticides, medicines, and organic intermediates |
| Production method | is obtained by esterification of trifluoroacetic acid and ethanol. After the trifluoroacetic acid is cooled, absolute ethanol is added under stirring, and the reaction is exothermic. After the heat release is stopped, concentrated sulfuric acid is slowly added. After heating and refluxing for half an hour, fractionation is carried out, and the fraction at 62-64 ℃ is collected to obtain ethyl trifluoroacetate. 94% yield. |
Last Update：2024-04-10 22:29:15
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