HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 4-methylphenylsulfoxide
METHYL P-TOLYL SULFOXIDE · Methyl 4-Tolyl Sulfoxide · 4-(Methylsulfinyl)toluene · Methyl p-tolyl sulfoxide 97% · Methyl p-methylphenylsulfoxide · Methyl 4-methylphenyl sulphoxide · 4-Methylphenyl (methyl) sulfoxide · 1-(Methylsulfinyl)-4-methylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 934-72-5 |
|---|---|
| Summenformel | C8H10OS |
| Durchschnittliche Molmasse | 154,23 g/mol |
| Monoisotopische Masse | 154,04523594 g/mol |
| SMILES | Cc1ccc(S(C)=O)cc1 |
| InChIKey | FEVALTJSQBFLEU-UHFFFAOYSA-N |
| PubChem CID | 136743 |
| EC No. | 890-047-0 |
| DTXSID | DTXSID401347144 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 44-46 °C (lit.) |
| Siedepunkt | 113-114 °C/2 mmHg (lit.) |
| Dichte | 1.1125 (rough estimate) |
| Brechungsindex | 1.5780 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | 1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3 |
| InChIKey | FEVALTJSQBFLEU-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(C)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309099 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methyl p-tolyl sulfoxide may be used as a catalyst in the preparation of homoallylic alcohols by the allylation of aldehydes with allyltrichlorosilane. It may be used as a ligand in the synthesis of molybdenum chlorocomplexes.