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Trimethyloxosulfoniumiodid
TMSOI · TRIMETHYLSULPHOXONIUM IODIDE · Trimethylsulfoxonium · Trimethyl sulfoxide iodide · TriMethyloxosulfoniuM Iodide · trimethyloxosulphonium iodide · Trimethyl sulfoxide · rimethylsulfoxonium iodide
Identifikatoren & physikalische Daten
| CAS No. | 1774-47-6 |
|---|---|
| Summenformel | C3H9IOS |
| Durchschnittliche Molmasse | 220,07 g/mol |
| Monoisotopische Masse | 219,94188391 g/mol |
| SMILES | C[S+](C)(C)=O.[I-] |
| InChIKey | BPLKQGGAXWRFOE-UHFFFAOYSA-M |
| PubChem CID | 74498 |
| ChEMBL | CHEMBL283149 |
| EC No. | 217-204-2 |
| DTXSID | DTXSID001014581 |
| Lokaler Name | Trimethyloxosulfoniumiodid |
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 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| Physical Description | Yellow crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 208-212 °C (dec.) (lit.) |
| Dichte | 1.7074 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | H2O: 50 mg/mL, clear15 g/L (20 ºC) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| pH | pH(50g/l, 25℃) : 4.8～6.0 |
| BRN | 3595854 |
| InChI | InChI=1S/C3H9OS.HI/c1-5(2,3)4/h1-3H31H/q+1/p-1 |
| InChIKey | BPLKQGGAXWRFOE-UHFFFAOYSA-M |
| SMILES | [S+](=O)(C)(C)C.[I-] |
| CAS Datenbank | 1774-47-6(CAS DataBase Reference) |
| EPA chemische Informationen | Sulfoxonium, trimethyl-, iodide (1774-47-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.WarningH303 (17%): May be harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15834Sulfoxonium, trimethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] An irritant[Alfa Aesar MSDS] See Dimethyl sulfoxide. See Iodine for the TLV of Iodides. |
| Hazard Classes and Categories | Acute Tox. 5 (17%) |
| Threshold Limit Values (TLV) | 0.01 [ppm], inhalable fraction and vapor (iodides) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29309070 |
| RTECS-Nr. | WS3585000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Trimethylsulfoxonium Iodide is used to synthesize methylene-transfer reagents that are used in the preparation of epoxides.