HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-3-trifluoromethylacetanilide
FlutaMide Related CoMpound B · NSC 60254 · Flutamide Impurity B · Flutamide USP Related Compound B · 2-NITRO-5-ACETAMIDOBENZOTRIFLUORIDE · 5-Acetamido-2-Nitrobenzotrifluoride · N-[4-Nitro-3-(trifluoromethyl)pheny · 3-TRIFLUOROMETHYL-4-NITROACETANILIDE
Identifikatoren & physikalische Daten
| CAS No. | 393-12-4 |
|---|---|
| Summenformel | C9H7F3N2O3 |
| Durchschnittliche Molmasse | 248,16 g/mol |
| Monoisotopische Masse | 248,04087658 g/mol |
| SMILES | CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 |
| InChIKey | MIHJCLQINRFOLX-UHFFFAOYSA-N |
| PubChem CID | 246769 |
| EC No. | 622-212-8 |
| DTXSID | DTXSID40192539 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 314 |
| Schmelzpunkt | 108 °C |
| Siedepunkt | 389.8±42.0 °C(Predicted) |
| Dichte | 1.478±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.37±0.70(Predicted) |
| Farbe | Pale Yellow |
| CAS Datenbank | 393-12-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (92.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (92.9%) |
| UN-Transportnummer | 1325 |
| Zollcode | 29242990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4’-Nitro-3’-(trifluoromethyl)acetanilide is a metabolite of the nonsteroidal antiandrogen drug, Flutamide (F598850).