2,2,2-Trifluoroethanol
2,2,2-Trifluoroethanol
CAS: 75-89-8
Molecular Formula: C2H3F3O
2,2,2-Trifluoroethanol - Names and Identifiers
| Name | 2,2,2-Trifluoroethanol |
| Synonyms | TFE Trifluoroethanol 2,2,2-Trifluoroethan Trifluoro Ethanol(L) 1,1,2-trifluoroethanol 2,2,2-Trifluoroethanol Trifluroroethyl alchohol 1,2,2-trifluoroethan-1-ol chloro(difluoro)acetic acid 2,2,2-Trifluoroethanol, reagent grade 2,2,2-TRIFLUOROETHANOL-D3, HIGH ENRICHMENT 2,2,2-Trifluoroethanol,Trifluoroethyl alcohol 2-Hydroxy-1,1,1-trifluoroethane, (Trifluoromethyl)methanol |
| CAS | 75-89-8 |
| EINECS | 200-913-6 |
| InChI | InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2 |
| InChIKey | RHQDFWAXVIIEBN-UHFFFAOYSA-N |
2,2,2-Trifluoroethanol - Physico-chemical Properties
| Molecular Formula | C2H3F3O |
| Molar Mass | 100.04 |
| Density | 1.391g/mLat 20°C |
| Melting Point | −44°C(lit.) |
| Boling Point | 77-80°C(lit.) |
| Flash Point | 85°F |
| Water Solubility | Miscible with water, ethers, ketones, alcohols and chloroform. |
| Vapor Presure | 70 mm Hg ( 25 °C) |
| Vapor Density | 3.5 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 1.373 |
| Color | Clear colorless |
| Odor | Alcoholic odour |
| Maximum wavelength(λmax) | ['λ: 260 nm Amax: ≤0.03', , 'λ: 280 nm Amax: ≤0.02'] |
| Merck | 14,9682 |
| BRN | 1733203 |
| pKa | 12.4(at 25℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable - note wide explosion limits. Moisture sensitive. Incompatible with strong oxidizing agents, strong acids, sodium, potassium. |
| Explosive Limit | 8.4-28.8%(V) |
| Refractive Index | n20/D 1.3(lit.) |
| Physical and Chemical Properties | Density 1.393 melting point -45°C boiling point 77-80°C refractive index 1.2907 flash point 29°C |
| Use | Used as a solvent, also used as a pharmaceutical, pesticide intermediates |
2,2,2-Trifluoroethanol - Risk and Safety
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R62 - Possible risk of impaired fertility R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S39 - Wear eye / face protection. 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. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1986 3/PG 3 |
| WGK Germany | 1 |
| RTECS | KM5250000 |
| TSCA | Yes |
| HS Code | 29055910 |
| Hazard Note | Flammable/Toxic |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rat 1680 mg/kg |
2,2,2-Trifluoroethanol - Reference Information
| pH range of acid-base indicator discoloration | 5-7 (10% aq soln) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | 2,2, 2-trifluoroethanol or trifluoroethanol for short TEF or TFEA, is an important aliphatic fluorine-containing intermediate, is a colorless, water-soluble liquid, with a similar odor with ethanol. Due to the strong electron-withdrawing effect of trifluoromethyl group, trifluoroethanol is much more acidic than ethanol, and can form hydrogen-bonded stable complexes with heterocyclic compounds (e. G. Tetrahydrofuran, pyridine). This unique physical and chemical properties and special molecular structure make it have different properties from other alcohols, can participate in a variety of organic chemical reactions, can be oxidized to trifluoroacetaldehyde or trifluoroacetic acid, A trifluoromethyl group may also be provided, participating in a Horner-Wadsworth-Emmons improvement in the Still-Gennari reaction. In medicine, pesticides, dyes, energy, organic synthesis has a wide range of applications. |
| Application | The main use of trifluoroethanol is as an anesthetic, the earliest use of trifluoroethanol and acetylene synthesis of fluoroacetylene ether instead of side effects of bromofluoroalkanes as anesthetics, and then trichloroethanol as raw materials have developed non-flammability, low-toxicity isoflurane hydrocarbons and high-performance novel anaesthetics of dechlorofluoroalkanes. Trifluoroethanol can introduce trifluoromethyl as a functional group into the structure of the drug, so that it can produce obvious physiological activity, increase molecular fat solubility, improve efficacy or reduce the toxic and side effects of the organism, the drugs synthesized by the drug are mainly central nervous stimulant flumetil, instead of pyridine gastric parietal cell proton pump blockers Lansoprazole and Pariprazole, etc, anti-arrhythmic drug flecainide and analgesic drugs benzodiazepine and dysuria treatment drugs KMD-3212 and so on. |
| preparation method | since Marts used trifluoroacetic anhydride as raw material, trichloroethanol was prepared by catalytic reduction method, A series of synthetic methods have been successively developed. According to the type of reaction, it can be divided into oxidation, reduction and hydrolysis. According to the raw material can be divided into trifluoroacetic acid method, trifluoroacetyl chloride method, trifluoroacetic anhydride method, trifluoroacetic acid method, trifluoroacetaldehyde method, vinylidene fluoride method, trifluoroethane (HFC-143a) method and trifluorochloroethane (HCFC-133a) method. |
| Use | as an inducer of trifluoroethyl and trifluoroethoxylates, the synthetic anesthetic Fluroxene, isoflurane and Desflurane, central nervous stimulant Flowotyl, proton pump blocker lansoprazole, pp inhibitor, anti-arrhythmic drug Flecamide, analgesic benzodiazepine (quazaam), dysuria drug KMD-3213, herbicide trifluorosulfur methyl. used as a chemical reagent used as a solvent, can be used as a trifluoroethyl and trifluoroethoxy agent, also used as a pharmaceutical, pesticide intermediates used as a solvent, also used as a pharmaceutical, pesticide intermediate important solvent, an important solvent for sample preparation in electrophoresis. Also used for NMR spectroscopy |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 240 mg/kg; Oral-mouse LD50: 366 mg/kg |
| stimulation data | Skin-rabbits 0.75 mg/24 h severe; eye-rabbit 20 mg/24 h mild |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; toxic fluoride smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| autoignition temperature | ~ 896 f |
Last Update：2024-04-09 20:52:54
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