HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dechloroclotrimazole
CDD 3501 · N-TRITYLIMIDAZOLE · 1-TRITYLIMIDAZOLE · 1-tribenzylimidazole · 1-TRITYL-1H-IMIDAZOLE · ClotriMazole IMpurity F · Clotrimazole Impurity 6 · Clotrimazole EP Impurity F
Identifikatoren & physikalische Daten
| CAS No. | 15469-97-3 |
|---|---|
| Summenformel | C22H18N2 |
| Durchschnittliche Molmasse | 310,4 g/mol |
| Monoisotopische Masse | 310,14699858 g/mol |
| SMILES | c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1 |
| InChIKey | NPZDCTUDQYGYQD-UHFFFAOYSA-N |
| PubChem CID | 618231 |
| ChEMBL | CHEMBL1651507 |
| EC No. | 628-022-1 |
| DTXSID | DTXSID10347130 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 330 |
| Schmelzpunkt | 220-224 °C(lit.) |
| Siedepunkt | 451.3±14.0 °C(Predicted) |
| Dichte | 1.05±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)Insoluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.34±0.30(Predicted) |
| Farbe | White to Off-White |
| BRN | 238171 |
| InChI | InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H |
| InChIKey | NPZDCTUDQYGYQD-UHFFFAOYSA-N |
| SMILES | C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CN=1 |
| CAS Datenbank | 15469-97-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933299090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-(Triphenylmethyl)imidazole may be used in the synthesis of 1,2,5-trisubstituted imidazole derivatives.