HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(R)-2-(4-Nitrophenyl)oxirane
(r)-4-nitrostyrene oxide · Oxirane,2-(4-nitrophenyl)-, (2R)-
Identifikatoren & physikalische Daten
| CAS No. | 78038-43-4 |
|---|---|
| Summenformel | C8H7NO3 |
| Durchschnittliche Molmasse | 165,15 g/mol |
| Monoisotopische Masse | 165,04259308 g/mol |
| SMILES | O=[N+]([O-])c1ccc([C@@H]2CO2)cc1 |
| InChIKey | YKIUTLHCSNCTDZ-QMMMGPOBSA-N |
| PubChem CID | 1237170 |
| EC No. | 625-691-1 |
| DTXSID | DTXSID70361256 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 181 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 302.7±30.0 °C(Predicted) |
| Dichte | 1.372±0.06 g/cm3(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
(R)-(4-Nitrophenyl)oxirane is used as a reagent in the enantioconvergent synthesis of the β-blocker (R)-Nifenalol which is based on a combined chemoenzymic approach.