HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3-Chlorophenyl)-3-phenylurea
1-(3-Chlorophenyl)-3-phenylurea · N-(3-Chlorophenyl)-N'-phenylurea · Urea, N-(3-chlorophenyl)-N'-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 2008-71-1 |
|---|---|
| Summenformel | C13H11ClN2O |
| Durchschnittliche Molmasse | 246,69 g/mol |
| Monoisotopische Masse | 246,0559907 g/mol |
| SMILES | O=C(Nc1ccccc1)Nc1cccc(Cl)c1 |
| InChIKey | BQVXYHYXISZSEZ-UHFFFAOYSA-N |
| PubChem CID | 295366 |
| ChEMBL | CHEMBL1524783 |
| EC No. | 621-413-8 |
| DTXSID | DTXSID60304197 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 254 |
| Schmelzpunkt | 183-184 °C |
| Siedepunkt | 289.6±23.0 °C(Predicted) |
| Dichte | 1.356±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.78±0.70(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (97.4%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319 |
Anwendungen & Verwendung
Verwenden
1-(3-Chlorophenyl)-3-phenylurea is a selective CYP1B1 inhibitor.