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3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazoliumchlorid
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride · 3-Benzyl-5-(hydroxyethyl)-4-methylthiazolium chloride · 3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazole-3-ium·chloride · Nsc172802 · -3-ium chL · -5-(2-hydroxyethyL · LABOTEST-BB LT00452912 · 3-Benzyl-5(2-OHEt)-4-mEtthiazolium Cl
Identifikatoren & physikalische Daten
| CAS No. | 4568-71-2 |
|---|---|
| Summenformel | C13H16ClNOS |
| Durchschnittliche Molmasse | 269,79 g/mol |
| Monoisotopische Masse | 269,06411281 g/mol |
| SMILES | Cc1c(CCO)sc[n+]1Cc1ccccc1.[Cl-] |
| InChIKey | IWSVLBKHBJGMAA-UHFFFAOYSA-M |
| PubChem CID | 2833352 |
| EC No. | 224-947-6 |
| DTXSID | DTXSID50963419 |
| Lokaler Name | 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazoliumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 52,4 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 206 |
| Schmelzpunkt | 142-144 °C(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | sol H2O, MeOH, EtOHslightly sol cold MeCNinsol ether, pentaneSoluble in water. |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 3788921 |
| InChI | InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H31H/q+1/p-1 |
| InChIKey | IWSVLBKHBJGMAA-UHFFFAOYSA-M |
| SMILES | [N+]1(=CSC(CCO)=C1C)CC1=CC=CC=C1.[Cl-] |
| CAS Datenbank | 4568-71-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29341000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, aliphatic aldehydes undergo the acyloin condensation in the presence of this catalyst and mild base. It acts as a catalyst for the addition of aliphatic and heterocyclic aldehydes to α,β-unsaturated ketones, nitriles and esters.