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2-Bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one
2-(trifluoromethtl)phenacyl bromide · 2-(TRIFLUOROMETHYL)PHENACYL BROMIDE · 2'-(TRIFLUOROMETHYL)PHENACYL BROMIDE · 2-Bromo-2'-(trifluoromethyl)acetophenone · 2-Bromo-2'-(trifluoromethyl)acetophenone >2-Bromo-2'-(trifluoromethyl)acetophenone,97% · 2-Bromo-1-(2-trifluoromethyl-phenyl)-ethanone · Ethanone, 2-bromo-1-[2-(trifluoromethyl)phenyl]- · 2-BROMO-1-[2-(TRIFLUOROMETHYL)PHENYL]-1-ETHANONE
![Molekülstruktur von 2-Bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one](/img/chemical/2778430.png)
Identifikatoren & physikalische Daten
| CAS No. | 54109-16-9 |
|---|---|
| Summenformel | C9H6BrF3O |
| Durchschnittliche Molmasse | 267,04 g/mol |
| Monoisotopische Masse | 265,95541157 g/mol |
| SMILES | O=C(CBr)c1ccccc1C(F)(F)F |
| InChIKey | KWZCBMKXNYOQAK-UHFFFAOYSA-N |
| PubChem CID | 2778430 |
| EC No. | 638-938-3 |
| DTXSID | DTXSID50380925 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 215 |
| Schmelzpunkt | 28-30 |
| Siedepunkt | 52/0.03mm |
| Dichte | 1.592±0.06 g/cm3 (20 ºC 760 Torr) |
| Flammpunkt | 109.7±27.3℃ |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow to Light orange |
| Löslichkeit | Slightly soluble in water. |
| CAS Datenbank | 54109-16-9 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (12.5%) |
| UN-Transportnummer | 1759 |
| Zollcode | 2914790090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | IRRITANT |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
The sulfonyl urea thus obtained was used directly in the following condensation with 4-(trifluoromethyl)phenacyl bromide. Upon heating, benzenesulfinic acid ammonium salt might react with 2-(trifluoromethyl)phenacyl bromide to give β-keto sulfone. In Rap-Stoermer condensation reation.