HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenylpyridin-N-oxid
4-PHENYLPYRIDINE N-OXIDE · 4-phenylpyridine-N-oxy · 4-phenyl-pyridin1-oxide · 4-Phenyl-pyridine1-oxide · 4-PhenylpyridineN-Oxide>Pyridine,4-phenyl-,1-oxide · 4-PHENYLPYRIDINE-N-OXIDE 97% · 1-Oxylato-4-phenylpyridinium · 4-Phenylpyridine-n-oxide,97%
Identifikatoren & physikalische Daten
| CAS No. | 1131-61-9 |
|---|---|
| Summenformel | C11H9NO |
| Durchschnittliche Molmasse | 171,19 g/mol |
| Monoisotopische Masse | 171,06841391 g/mol |
| SMILES | [O-][n+]1ccc(-c2ccccc2)cc1 |
| InChIKey | VZOPVKZLLGMDDG-UHFFFAOYSA-N |
| PubChem CID | 70803 |
| ChEMBL | CHEMBL192402 |
| EC No. | 214-467-5 |
| DTXSID | DTXSID9061548 |
| Lokaler Name | 4-Phenylpyridin-N-oxid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 146 |
| Schmelzpunkt | 153-155 °C(lit.) |
| Siedepunkt | 301.18°C (rough estimate) |
| Dichte | 1.1242 (rough estimate) |
| Brechungsindex | 1.4900 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.89±0.10(Predicted) |
| Farbe | Light yellow to Brown |
| BRN | 121493 |
| InChI | 1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | VZOPVKZLLGMDDG-UHFFFAOYSA-N |
| SMILES | [O-][n+]1ccc(cc1)-c2ccccc2 |
| CAS Datenbank | 1131-61-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Phenylpyridine-1-oxide (1131-61-9) |
Sicherheit & Vorschriften
| F | 3-9 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933399990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-phenylpyridine n-oxide can be used as a catalyst for various reactions, such as, halogen bonding, and enantioselective epoxidation of non-selective alkenes leading to a higher catalytic activity.