HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methanesulfonamide, N-phenyl-
MESYLANILINE · MESYLANILIDE · N-Mesylaniline · Methanesulfanilide · Methylsulfonanilide · TIMTEC-BB SBB008328 · N-Mesylbenzeneamine · METHANESULFONANILIDE
Identifikatoren & physikalische Daten
| CAS No. | 1197-22-4 |
|---|---|
| Summenformel | C7H9NO2S |
| Durchschnittliche Molmasse | 171,22 g/mol |
| Monoisotopische Masse | 171,03539953 g/mol |
| SMILES | CS(=O)(=O)Nc1ccccc1 |
| InChIKey | LBTPIFQNEKOAIM-UHFFFAOYSA-N |
| PubChem CID | 70970 |
| ChEMBL | CHEMBL24367 |
| EC No. | 601-626-2 |
| DTXSID | DTXSID6061606 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 199 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 0.95 |
| Schmelzpunkt | 93-97 °C |
| Siedepunkt | 180.08°C (rough estimate) |
| Dichte | 1.2495 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8+-.0.10(Predicted) |
| Farbe | White to light beige |
| CAS Datenbank | 1197-22-4(CAS DataBase Reference) |
| NIST chemische Informationen | Methanesulfanilide(1197-22-4) |
| EPA chemische Informationen | Methanesulfonamide, N-phenyl- (1197-22-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19414 |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29350090 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
N-Phenylmethanesulfonamide, is a building block used in the synthesis of various compounds.