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Methansulfonamid
METHANSULFONAMIDE · METHYL SULFONAMIDE · METHANESULPHONAMIDE · Methanesulfonic amide · Mesyl amide · METHYLSULFAMIDE · MethanesulfonaMid · A sulfonaMide
Identifikatoren & physikalische Daten
| CAS No. | 3144-09-0 |
|---|---|
| Summenformel | CH5NO2S |
| Durchschnittliche Molmasse | 95,12 g/mol |
| Monoisotopische Masse | 95,0040994 g/mol |
| SMILES | CS(N)(=O)=O |
| InChIKey | HNQIVZYLYMDVSB-UHFFFAOYSA-N |
| PubChem CID | 72879 |
| ChEMBL | CHEMBL305268 |
| EC No. | 221-553-6 |
| DTXSID | DTXSID3062865 |
| Lokaler Name | Methansulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Schmelzpunkt | 85-89 °C(lit.) |
| Siedepunkt | 208.2±23.0 °C(Predicted) |
| Dichte | 1.229 (estimate) |
| Brechungsindex | 1.5130 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in DMSO and methanol. |
| pKa (Säurekonstante) | 10.87±0.60(Predicted) |
| Aggregatzustand | Crystals, Powder or Flakes |
| Farbe | White to yellow |
| BRN | 1740835 |
| InChI | InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) |
| InChIKey | HNQIVZYLYMDVSB-UHFFFAOYSA-N |
| SMILES | CS(N)(=O)=O |
| CAS Datenbank | 3144-09-0(CAS DataBase Reference) |
| NIST chemische Informationen | Methane sulfonamide(3144-09-0) |
| EPA chemische Informationen | Methanesulfonamide (3144-09-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.3%): 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 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29350090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methanesulfonamide will react with thionyl chloride, cyanates, carbon disulfide and ketones and aldehydes to prepare pharmaceuticals, brightening agent and other target molecules. It is also used in biological studies to predict binding affinity and binding mode of protein ligand complexes.