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Triethylammoniumfluorid
HF · TEA.3HF · TRIETHYLAMINE TRIS(HYDROGEN FLUORIDE) · Triethylamine trihydroflouride · TREAT-HF · trihydrofluoride · TRIETHYLAMINE TRISHYDROFLUORIDE · Triethylamine trihyd
Identifikatoren & physikalische Daten
| CAS No. | 73602-61-6 |
|---|---|
| Summenformel | C6H18F3N |
| Durchschnittliche Molmasse | 161,21 g/mol |
| Monoisotopische Masse | 161,13913424 g/mol |
| SMILES | CCN(CC)CC.F.F.F |
| InChIKey | IKGLACJFEHSFNN-UHFFFAOYSA-N |
| PubChem CID | 175505 |
| DTXSID | DTXSID2074372 |
| Lokaler Name | Triethylammoniumfluorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 3,2 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 25,7 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| Physical Description | Colorless liquid with a pungent odorHygroscopic[Alfa Aesar MSDS] |
| Schmelzpunkt | -29--27°C |
| Siedepunkt | 70 °C15 mm Hg(lit.) |
| Dichte | 0.989 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.3915(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Chloroform, Hexane |
| Aggregatzustand | Liquid |
| Wichte | 0.989 |
| Farbe | Clear yellow to brown |
| pH | 3 (H2O, 20℃)(saturated aqueous solution) |
| BRN | 5522945 |
| InChI | 1S/C6H15N.3FH/c1-4-7(5-2)6-3/h4-6H2,1-3H33*1H |
| InChIKey | IKGLACJFEHSFNN-UHFFFAOYSA-N |
| SMILES | F[H].F[H].F[H].CCN(CC)CC |
| CAS Datenbank | 73602-61-6(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanamine, N,N-diethyl-, trihydrofluoride (73602-61-6) |
Sicherheit & Vorschriften
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Triethylamine trishydrofluoride: HSNO Approval: HSR006811 Approved with controls |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHighly toxic by ingestion, inhalation, and skin absorption[Alfa Aesar MSDS] See Hydrogen fluoride. See Triethylamine hydrochloride. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29211910 |
| R-Sätze (R) | 26/27/28-35-36/37/38-20/21/22-11 |
| Gefahrensymbole | T+,T,C,Xi,F |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-7/9-36/37-36-61-29-16-3 |
| Gefahrenklasse | 8Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Triethylamine trihydrofluoride acts as a mild and selective fluorinating agent used in the synthesis of acid fluorides and alkyl fluorides. It is also used in the synthesis of vicinal difluorides from epoxides, 3-fluoroazetidine. It is utilized as a selective reagent for the cleavage of O-silyl groups in carbohydrates, nucleotides and cyanohydrins. It is actively involved in the electrochemical fluorodeiodination of alkyl iodides and fluorodesilylation in beta-lactams.