HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-4-Benzyl-2-oxazolidinone
S-BOZ · (4S)-4-benzyloxazolidin-2-one · 4-Benzyl-oxazolidin-2-one · (S)-4-BENZYL-OXAZOLIDIN-2-ONE · (S)-(-)-4-BENZYL-2-OXAZOLIDINONE · (4S)-4-BENZYL-1,3-OXAZOLIDIN-2-ONE · S-BOA · TB-2043
Identifikatoren & physikalische Daten
| CAS No. | 90719-32-7 |
|---|---|
| Summenformel | C10H11NO2 |
| Durchschnittliche Molmasse | 177,2 g/mol |
| Monoisotopische Masse | 177,07897859 g/mol |
| SMILES | O=C1N[C@@H](Cc2ccccc2)CO1 |
| InChIKey | OJOFMLDBXPDXLQ-VIFPVBQESA-N |
| PubChem CID | 736225 |
| ChEBI | CHEBI:194622 |
| EC No. | 618-632-6 |
| DTXSID | DTXSID00352970 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 187 |
| Schmelzpunkt | 86-88 °C(lit.) |
| Siedepunkt | 309.12°C (rough estimate) |
| Dichte | 1.1607 (rough estimate) |
| Brechungsindex | -14.5 ° (C=5, MeOH) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.78±0.40(Predicted) |
| Farbe | White to very slightly yellow |
| BRN | 3649667 |
| InChI | 1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1 |
| InChIKey | OJOFMLDBXPDXLQ-VIFPVBQESA-N |
| SMILES | O=C1N[C@H](CO1)Cc2ccccc2 |
| CAS Datenbank | 90719-32-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.4%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralSTOT RE 2 |
Anwendungen & Verwendung
Verwenden
As an oxazolidinone, (S)-4-Benzyl-2-Oxazolidinone can be used in chiral auxiliary asymetric synthesis.