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4,5-Diphenyl-1H-imidazol
4,5-DIPHENYLGLYOXALINE · NSC 59776 · AURORA 23221 · Diphenylimidazole · TIMTEC-BB SBB003352 · 4,5-diphenylimidazol · OTAVA-BB BB7110952522 · 4,5-Diphenylimidazole
Identifikatoren & physikalische Daten
| CAS No. | 668-94-0 |
|---|---|
| Summenformel | C15H12N2 |
| Durchschnittliche Molmasse | 220,27 g/mol |
| Monoisotopische Masse | 220,10004838 g/mol |
| SMILES | c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 |
| InChIKey | CPHGOBGXZQKCKI-UHFFFAOYSA-N |
| PubChem CID | 69588 |
| ChEMBL | CHEMBL224554 |
| EC No. | 211-573-3 |
| DTXSID | DTXSID5045700 |
| Lokaler Name | 4,5-Diphenyl-1H-imidazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 229 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 228-230 °C(lit.) |
| Siedepunkt | 351.21°C (rough estimate) |
| Dichte | 1.149 |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 12.99±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 157587 |
| InChI | 1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17) |
| InChIKey | CPHGOBGXZQKCKI-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)-c2nc[nH]c2-c3ccccc3 |
| CAS Datenbank | 668-94-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,5-Diphenylimidazole is used as a precursor for azo dyes such as 2-(quinolylazo)-4,5-diphenylimidazole . It is also used to determine metal ions by spectrophotometrically. It acts as a chromogenic reagent.