HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Phenyloxazol-5(4H)-on
Phenyloxazolone · 2-phenyloxazolone · 2-Phenyl-5-oxazolone · 2-phenyl-5(4h)-oxazolon · 2-Phenyl-5(4H)-oxazolone · 2-PHENYL-2-OXAZOLIN-5-ONE · 2-PHENYL-4H-OXAZOL-5-ONE · 2-Phenyl-2-oxazoline-5-one
Identifikatoren & physikalische Daten
| CAS No. | 1199-01-5 |
|---|---|
| Summenformel | C9H7NO2 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,04767846 g/mol |
| SMILES | O=C1CN=C(c2ccccc2)O1 |
| InChIKey | QKCKCXFWENOGER-UHFFFAOYSA-N |
| PubChem CID | 65073 |
| ChEBI | CHEBI:60296 |
| EC No. | 214-840-2 |
| DTXSID | DTXSID0061612 |
| Lokaler Name | 2-Phenyloxazol-5(4H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 217 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | Orange powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 89-92°C |
| Siedepunkt | 248.1±23.0 °C(Predicted) |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in most common organic solvents. |
| pKa (Säurekonstante) | 2.56±0.20(Predicted) |
| BRN | 128465 |
| EPA chemische Informationen | 5(4H)-Oxazolone, 2-phenyl- (1199-01-5) |
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
2-Phenyl-5-oxazolone is a reagent used as a masked glycine equivalent and for the formation of heterocyclic structures, it can be used to produce 4-benzylidene-2-phenyl-4H-oxazol-5-one.