HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Trifluoromethylisobutyranilide
TIMTEC-BB SBB008101 · Flutamide Impurity E · Flutamide EP Impurity E · 3'-trifluoromethylisobutyranilide · 3'-TRIFLUOROMETHYL-ISO-BUTYRANILIDE · 2-Methyl-N-[3-(trifluoromethyl)phen · N-(3-(Trifluoromethyl)phenyl)isobutyramide · Ethanone, 1-(2-hydroxy-4,5-dimethylphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 1939-27-1 |
|---|---|
| Summenformel | C11H12F3NO |
| Durchschnittliche Molmasse | 231,21 g/mol |
| Monoisotopische Masse | 231,08709866 g/mol |
| SMILES | CC(C)C(=O)Nc1cccc(C(F)(F)F)c1 |
| InChIKey | GETMKVRSDFVVHL-UHFFFAOYSA-N |
| PubChem CID | 137264 |
| ChEMBL | CHEMBL3561475 |
| EC No. | 406-740-4 |
| DTXSID | DTXSID5057674 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 250 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Schmelzpunkt | 100-101 °C |
| Siedepunkt | 313.5±42.0 °C(Predicted) |
| Dichte | 1.220±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.33±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Orange |
| CAS Datenbank | 1939-27-1(CAS DataBase Reference) |
| NIST chemische Informationen | 3'-Trifluoromethylisobutyranilide(1939-27-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P273, P319, P391, and P501 (click each P-code to see the statement)H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
|---|---|
| Regulatorische Informationen | REACH registered substance: 3'-trifluoromethylisobutyranilide (EC: 406-740-4) |
| Hazard Classes and Categories | STOT RE 2 (100%)Specific target organ toxicity (repeated exposure) - category 2STOT RE 2 * |
| R-Sätze (R) | 48/22-51/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 22-36-61 |
Anwendungen & Verwendung
Verwenden
2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide is used as a reagent to synthesize Flutamide (F598850), an oral nonsteroidal antiandrogen that is hepatotoxic and commonly used to treat patients with prostate cancer.