HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 99331Erstellt: 1. November 2026
1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-yl)urea · Urea, N-(4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)-
https://huagongshe.com/de/chemical/99331
Identifikatoren & physikalische Daten
| CAS No. | 84882-78-0 |
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| Summenformel | C11H10FN3O2 |
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| Durchschnittliche Molmasse | 235,21 g/mol |
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| Monoisotopische Masse | 235,07570473 g/mol |
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| SMILES | Cc1cc(NC(=O)Nc2ccc(F)cc2)no1 |
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| InChIKey | WAKQZUJXHQHOEF-UHFFFAOYSA-N |
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| PubChem CID | 99331 |
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| ChEMBL | CHEMBL1371022 |
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| EC No. | 666-331-3 |
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| DTXSID | DTXSID80233935 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 67,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 269 |
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| Siedepunkt | 280.8±35.0 °C(Predicted) |
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| Dichte | 1.413±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 12.59±0.70(Predicted) |
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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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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