HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74684Erstellt: 27. Oktober 2026
p-(Trifluormethyl)benzamid
TIMTEC-BB SBB002331 · p-Trifluoromethylbenzamide · 4-Carbamoylbenzotrifluoride · à,à,à-trifluoro-p-toluamide · 4-(TRIFLUOROMETHYL)BENZAMIDE · N-(4-Trifluoromethyl)benzamide · 4-(Trifluoromethyl)benzamide99% · Benzamide, 4-(trifluoromethyl)-
https://huagongshe.com/de/chemical/74684
Identifikatoren & physikalische Daten
| CAS No. | 1891-90-3 |
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| Summenformel | C8H6F3NO |
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| Durchschnittliche Molmasse | 189,13 g/mol |
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| Monoisotopische Masse | 189,04014847 g/mol |
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| SMILES | NC(=O)c1ccc(C(F)(F)F)cc1 |
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| InChIKey | WEJHBEDHLLBJFW-UHFFFAOYSA-N |
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| PubChem CID | 74684 |
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| ChEMBL | CHEMBL4065573 |
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| EC No. | 217-571-9 |
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| DTXSID | DTXSID70172304 |
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| Lokaler Name | p-(Trifluormethyl)benzamid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 194 |
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| LogP (Verteilungskoeffizient) | 1.71 |
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| Schmelzpunkt | 184-186 °C(lit.) |
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| Siedepunkt | 254.2±40.0 °C(Predicted) |
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| Dichte | 1.3305 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 15.36±0.50(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 2098929 |
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| CAS Datenbank | 1891-90-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-CF3-C6H4CONH2(1891-90-3) |
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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 46 reports by companies from 6 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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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2924297099 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANT |
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