HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Methylsulfonyl)piperazine
1-(METHYLSULFONYL)PIPERAZINE · AKOS B003961 · 1-mesylpiperazine · TIMTEC-BB SBB007001 · ART-CHEM-BB B003961 · ART-CHEM-BB B022241 · IFLAB-BB F2124-0764 · CHEMBRDG-BB 3003961
Identifikatoren & physikalische Daten
| CAS No. | 55276-43-2 |
|---|---|
| Summenformel | C5H12N2O2S |
| Durchschnittliche Molmasse | 164,23 g/mol |
| SMILES | CS(=O)(=O)N1CCNCC1 |
| InChIKey | ZZAKLGGGMWORRT-UHFFFAOYSA-N |
| PubChem CID | 709161 |
| EC No. | 675-149-3 |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 188 |
| Schmelzpunkt | 99 °C |
| Siedepunkt | 280.6±50.0 °C(Predicted) |
| Dichte | 1.29±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 7.78±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Almost white |
| Löslichkeit | Slightly soluble in water. |
| CAS Datenbank | 55276-43-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-24/25-23 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
1-(Methylsulfonyl)piperazine is employed as a intermediate for pharmaceutical and chemical research.