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Trimethyloxosulfoniumchlorid
TriMethyl sulfoxide chloride · trimethyloxosulfoniumchloride · NSC 221182 · oride, S-oxide · fonium, trimethyL · trimethyl-sulfoxoniuchloride · rimethylsulfoxonium chloride · Trimethylsulfoxonium chloride
Identifikatoren & physikalische Daten
| CAS No. | 5034-06-0 |
|---|---|
| Summenformel | C3H9ClOS |
| Durchschnittliche Molmasse | 128,62 g/mol |
| Monoisotopische Masse | 128,00626359 g/mol |
| SMILES | C[S+](C)(C)=O.[Cl-] |
| InChIKey | KQYWHJICYXXDSQ-UHFFFAOYSA-M |
| PubChem CID | 197819 |
| EC No. | 225-724-6 |
| DTXSID | DTXSID401370484 |
| Lokaler Name | Trimethyloxosulfoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 18,1 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 53 |
| Schmelzpunkt | 226-229 °C (lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly, Sonicated), Water (Sparingly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 4549927 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C3H9OS.ClH/c1-5(2,3)4/h1-3H31H/q+1/p-1 |
| InChIKey | KQYWHJICYXXDSQ-UHFFFAOYSA-M |
| SMILES | [S+](=O)(C)(C)C.[Cl-] |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12% (6 of 50) of reports.WarningH315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23125 |
| Hazard Classes and Categories | Skin Irrit. 2 (88%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309099 |
| RTECS-Nr. | WR8680000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant involved in:Polymerization of ylidesX-H insertionOne-pot sequential additionCyclopropanation of enones