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2,2,2-Trifluorethanol
TFE · CF3CH2OH · TRIFLUOROETHANOL · TFEA · 2,2,2-Trifluorethanol · 2,2,2-Trifluoroethan · Trifluoro Ethanol(L) · 2,2,2-TRIFLUROETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 75-89-8 |
|---|---|
| Summenformel | C2H3F3O |
| Durchschnittliche Molmasse | 100,04 g/mol |
| Monoisotopische Masse | 100,01359938 g/mol |
| SMILES | OCC(F)(F)F |
| InChIKey | RHQDFWAXVIIEBN-UHFFFAOYSA-N |
| PubChem CID | 6409 |
| ChEMBL | CHEMBL116675 |
| ChEBI | CHEBI:42330 |
| EC No. | 200-913-6 |
| DTXSID | DTXSID0021751 |
| Lokaler Name | 2,2,2-Trifluorethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 38,5 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> F-telomer alcohols (FTOH)PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 0.32 |
| Dichte | 1.288 @25 °C1.391 g/mL at 20 °C |
| Schmelzpunkt | -44 °C−44 °C(lit.) |
| Dampfdruck | 71.3 [mmHg]70 mm Hg ( 25 °C) |
| Physical Description | LiquidColorless liquid with an ethanol-like odorbp = 74.1 deg C[Merck Index] |
| Siedepunkt | 77-80 °C(lit.) |
| Dampfdichte | 3.5 (vs air) |
| Brechungsindex | n20/D 1.3(lit.) |
| Flammpunkt | 85 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Chloroform, MethanolMiscible with water, ethers, ketones, alcohols and chloroform. |
| pKa (Säurekonstante) | 12.4(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 1.373 |
| Geruch | Alcoholic odour |
| pH | 7 |
| Biologische Quelle | goat |
| Explosionsgrenze | 8.4-28.8%(V) |
| Merck | 14,9682 |
| BRN | 1733203 |
| Henry-Konstante | 4.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Dielektrizitätskonstante | 8.5500000000000007 |
| Stabilität | Stable. Flammable - note wide explosion limits. Moisture sensitive. Incompatible with strong oxidizing agents, strong acids, sodium, potassium. |
| Hauptanwendungen | sample preparation |
| InChI | 1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2 |
| InChIKey | RHQDFWAXVIIEBN-UHFFFAOYSA-N |
| SMILES | OCC(F)(F)F |
| CAS Datenbank | 75-89-8(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2,2,2-trifluoro-(75-89-8) |
| EPA chemische Informationen | 2,2,2-Trifluoroethanol (75-89-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.6% (1 of 169) of reports.DangerH226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 169 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2,2,2-trifluoro-Ethanol, 2,2,2-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2,2-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/137412,2,2-Trifluoroethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin irritantCorrosive to eyes[eChemPortal: ERMA] An irritantCauses CNS depression in high-dose animal studies[MSDSonline] In a 4-week inhalation study of rats exposed at 50 ppm, decreased testicular weight and hypospermatogenesis were observed. No adverse effects were observed in rats exposed to 10 ppm. A cluster of 5 exposed workers were reported to have smaller testicles. [AIHA] |
| Hazard Classes and Categories | Flam. Liq. 3 (99.4%)Flammable liquids - Category 3 |
| Protective Action Criteria (PAC) | 0.90 [ppm]5.8 [ppm]35 [ppm] |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 470 ppm/6h |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1986 3/PG 3 |
| Zollcode | 29055910 |
| RTECS-Nr. | KM5250000 |
| R-Sätze (R) | 10-20/21/22-37/38-41-62-38-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rat 1680 mg/kg |
| Gefahrensymbole | Xn,T,F |
| hazard_note | Flammable/Toxic |
| Sicherheitshinweise (S) | 26-36-39-45-36/37/39-16 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Repr. 1BSTOT RE 2 Inhalation |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | ~896 °F |
Anwendungen & Verwendung
Verwenden
2,2,2-Trifluoroethanol (Trifluoroethyl alcohol, TFE) is used to study the conformational states of proteins and the folding refolding processes of proteins.