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2-(Methylsulfonyl)ethanol
hydroxyethyl · 2-(methylsulfonyl)ethan-1-ol · 2-(Methylsulfonyl)ethyl alcohol · DK551 · 2-MESYLETHANOL · hydroxyethylmethylsulfone · 2-(Methylsulfonyl)ethanol · 2-(METHANESULFONYL)ETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 15205-66-0 |
|---|---|
| Summenformel | C3H8O3S |
| Durchschnittliche Molmasse | 124,16 g/mol |
| Monoisotopische Masse | 124,01941512 g/mol |
| SMILES | CS(=O)(=O)CCO |
| InChIKey | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| PubChem CID | 84834 |
| ChEMBL | CHEMBL281616 |
| EC No. | 239-261-2 |
| DTXSID | DTXSID60164950 |
| Lokaler Name | 2-(Methylsulfonyl)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 31-33 °C(lit.) |
| Siedepunkt | 148-149 °C(lit.) |
| Dichte | 1.33 |
| Brechungsindex | 1.478-1.48 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Soluble in water. |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 13.61±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 1746915 |
| InChI | InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3 |
| InChIKey | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| SMILES | C(O)CS(C)(=O)=O |
| CAS Datenbank | 15205-66-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| F | 3-9 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
2-(Methylsulfonyl)ethanol may be used as reagent in the synthesis of phenols from aryl fluorides. It may be used in the preparation of 2-(methylsulfonyl)ethyl N,N-bis(2-chloroethyl)phosphorodiamidate. 2-Hydroxyethyl Methyl Sulfone, is the versatile building block used in the synthesis of more complex sulfur containing compounds. It can be used for the studies of inhibitor and substrate moieties to acetylcholinesterase.