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2,2,2-Trifluoro-N-(4-nitrophenyl)acetamide
2,2,2-Trifluoro-4'-nitroacetanilide · 2,2,2-Trifluoro-N-(4-nitrophenyl)acetaMide · Acetamide, 2,2,2-trifluoro-N-(4-nitrophenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 404-27-3 |
|---|---|
| Summenformel | C8H5F3N2O3 |
| Durchschnittliche Molmasse | 234,13 g/mol |
| Monoisotopische Masse | 234,02522668 g/mol |
| SMILES | O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F |
| InChIKey | BLMWCZBKCOBVAM-UHFFFAOYSA-N |
| PubChem CID | 616367 |
| EC No. | 637-027-8 |
| DTXSID | DTXSID40346914 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 279 |
| Schmelzpunkt | 149-150°C |
| Siedepunkt | 341.5±42.0 °C(Predicted) |
| Dichte | 1.553±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.84±0.70(Predicted) |
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 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 | Skin Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
N-(p-Nitrophenyl)-2,2,2-trifluoroacetamide (cas# 404-27-3) is a compound useful in organic synthesis.