HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzenesulfonamide, N-benzyl-
N-Benzylbenzenesulfonamide · N-Benzylbenzenesulphonamide · Benzenesulfonamide, N-benzyl- · N-(benzyl)benzenesulfonylamide · N-(phenylmethyl)benzenesulfonamide · Benzenesulfonamide, N-(phenylmethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 837-18-3 |
|---|---|
| Summenformel | C13H13NO2S |
| Durchschnittliche Molmasse | 247,31 g/mol |
| Monoisotopische Masse | 247,06669966 g/mol |
| SMILES | O=S(=O)(NCc1ccccc1)c1ccccc1 |
| InChIKey | GRTPAOVVVLZLDP-UHFFFAOYSA-N |
| PubChem CID | 95236 |
| ChEMBL | CHEMBL1945331 |
| EC No. | 635-996-1 |
| DTXSID | DTXSID50232531 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 309 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 85-86 °C |
| Siedepunkt | 409.5±38.0 °C(Predicted) |
| Dichte | 1.232±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 11.21±0.30(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2935909099 |
Anwendungen & Verwendung
Verwenden
It is applied in chemical research and as an active pharmaceutical ingredient.