2,4,5-Triphenylimidazol
LOPHINE · Lophin · Oxaprozin Lophine · 2,4,5-TRIPHENYLIMIDAZOLE · 2,4,5-triphenyl-imidazol · 2,4,5-triphenyl-1h-imidazol · 2,4,5-Triphenylimidazole,98% · 2,4,5-triphenyl-1H-Imidazole
Identifikatoren & physikalische Daten
| CAS No. | 484-47-9 |
|---|---|
| Summenformel | C21H16N2 |
| Durchschnittliche Molmasse | 296,4 g/mol |
| Monoisotopische Masse | 296,13134852 g/mol |
| SMILES | c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 |
| InChIKey | RNIPJYFZGXJSDD-UHFFFAOYSA-N |
| PubChem CID | 10232 |
| ChEMBL | CHEMBL34173 |
| EC No. | 207-606-6 |
| DTXSID | DTXSID3022039 |
| Lokaler Name | 2,4,5-Triphenylimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 351 |
| Schmelzpunkt | 274-278 °C (lit.) |
| Siedepunkt | 427.96°C (rough estimate) |
| Dichte | 1.0874 (rough estimate) |
| Brechungsindex | 1.8000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 11.66±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| Löslichkeit | Soluble in methanol. Insoluble in water. |
| BRN | 236652 |
| InChI | InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23) |
| InChIKey | RNIPJYFZGXJSDD-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=1 |
| CAS Datenbank | 484-47-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Imidazole, 2,4,5-triphenyl- (484-47-9) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| RTECS-Nr. | NI8710000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4,5-Triphenylimidazole is used in the synthesis of fluorescent diarylethenes and nanowires of 2,4,5-triphenylimidazole, which finds application as single wire active optical waveguides and optically driven ultraviolet lasers.
Herstellung & Synthese
synthetische
2,4,5-triphenylimidazole was synthesized by reaction between ammonia, benzaldehyde and benzoin: Benzoin (1) ( 5 g, 0.023 M) was reacted with benzaldehyde (5 mL, 0.05 mol) (2) in presence of ammonia (3) and refluxed for 4 h and the resulting mixture was cooled, filtered to get 2,4,5-triphenylimidazole (4).Synthesis of 2,4,5-Triphenylimidazoles Novel Mannich Bases as Potential Antiinflammatory and Analgesic AgentsDOI: 10.3923/crc.2012.99.109