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Trifluormethansulfonylchlorid
TRIFLYL CHLORIDE · trifluoromethylsulfonyl chloride · Trifluoromathanesulfonyl chloride · Trifluoromethanesulfonic acid chloride · PFC-MSC · Trifluoromethane chloride · TRIFLUOROMETHANESULFONYLCLORIDE · Trifluoromethanesufonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 421-83-0 |
|---|---|
| Summenformel | CClF3O2S |
| Durchschnittliche Molmasse | 168,52 g/mol |
| Monoisotopische Masse | 167,92596258 g/mol |
| SMILES | O=S(=O)(Cl)C(F)(F)F |
| InChIKey | GRGCWBWNLSTIEN-UHFFFAOYSA-N |
| PubChem CID | 79000 |
| EC No. | 207-009-0 |
| DTXSID | DTXSID50194943 |
| Lokaler Name | Trifluormethansulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 161 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | Schoenflies notation |
| Dampfdruck | 535.6 [mmHg]10.36 psi ( 20 °C) |
| Physical Description | Clear light yellow liquidBoiling point = 29-32 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -26 °C |
| Siedepunkt | 29-32 °C (lit.) |
| Dichte | 1.583 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.334(lit.) |
| Flammpunkt | 32°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | ChloroformHydrolyzes with water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to faintly colored |
| Wichte | 1.583 |
| BRN | 1812016 |
| InChI | 1S/CClF3O2S/c2-8(6,7)1(3,4)5 |
| InChIKey | GRGCWBWNLSTIEN-UHFFFAOYSA-N |
| SMILES | FC(F)(F)S(Cl)(=O)=O |
| CAS Datenbank | 421-83-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30416Trifluoromethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Reacts violently with waterCauses burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 14-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Ru(II) complex-catalyzed trifluoromethylating agent for aromatics and alkenes.