HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methanesulfonyloxybutanol
Busulfan Impurity 4 · Busulfan Impurity 9 · 4-hydroxybutyl methanesulfonate · 1,4-Butanediol, 1-methanesulfonate · 1,4-Butanediol, MonoMethanesulfonate · Busulfan Hydroxybutyl Methanesulfonate Impurity · 4-Methanesulfonyloxybutanol DISCONTINUED, UNSTABLE
Identifikatoren & physikalische Daten
| CAS No. | 42729-95-3 |
|---|---|
| Summenformel | C5H12O4S |
| Durchschnittliche Molmasse | 168,21 g/mol |
| Monoisotopische Masse | 168,04563003 g/mol |
| SMILES | CS(=O)(=O)OCCCCO |
| InChIKey | GGASLDTWAZHIGF-UHFFFAOYSA-N |
| PubChem CID | 39244 |
| EC No. | 806-438-6 |
| DTXSID | DTXSID20195407 |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 72 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 155 |
| Siedepunkt | 331.6±25.0 °C(Predicted) |
| Dichte | 1.237±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 14.97±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
Anwendungen & Verwendung
Verwenden
4-Methanesulfonyloxybutanol is a hydrolysis product of busulfan (B689900) which is an Alkylating agent with antileukemic activity.