HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Toluol-4-sulfonanilid
4-methyl-n-phenylbenzenesulfonamide · n-phenyl-p-toluenesulfonamide · Nsc24629 · n-tosylaniline · p-toluenesulfanilide · p-Toluenesulfonanilide · toluene-4-sulphonanilide · p-toluenesulfonylanilide
Identifikatoren & physikalische Daten
| CAS No. | 68-34-8 |
|---|---|
| Summenformel | C13H13NO2S |
| Durchschnittliche Molmasse | 247,31 g/mol |
| Monoisotopische Masse | 247,06669966 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1 |
| InChIKey | VLVCWODDMDGANW-UHFFFAOYSA-N |
| PubChem CID | 2456 |
| ChEMBL | CHEMBL182659 |
| DTXSID | DTXSID40883218 |
| Lokaler Name | Toluol-4-sulfonanilid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 320 |
| Schmelzpunkt | 102°C |
| Siedepunkt | 391.5±35.0 °C(Predicted) |
| Dichte | 1.2217 (rough estimate) |
| Brechungsindex | 1.6800 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.60±0.10(Predicted) |
| Farbe | White to Almost white |
| CAS Datenbank | 68-34-8 |
| EPA chemische Informationen | Benzenesulfonamide, 4-methyl-N-phenyl- (68-34-8) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|---|
| Zollcode | 2935.90.9500 |
| RTECS-Nr. | XT6100000 |
| R-Sätze (R) | 20/21/22 |
| Sicherheitshinweise (S) | 36/37/39 |
Anwendungen & Verwendung
Verwenden
p-Toluenesulfonanilide is used as a reagent in the synthesis of several organic compounds including that of new alkynyl-gold(I) complexes which display anti-cancer activity towards several cancer cell lines particularly HT29, IGROV1, HL60 and I407. it was also used in the synthesis of α,β-unsaturated N-sulfonyl imides via oxidation of sulfonyl ynamides catalyzed by zinc catalyst.