HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2-Difluoroacetophenone
2,2-Difluoro-1-phenylethan-1-one · A,A-DIFLUOROACETOPHENONE · 2,2-DIFLUOROACETOPHENONE · 2,2-Difluoroacetophenone97% · 2,2-Difluoroacetophenone 97% · 2,2-Difluoroacetophenone,95% · 2,2-DIFLUORO-1-PHENYLETHANONE · Ethanone, 2,2-difluoro-1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 395-01-7 |
|---|---|
| Summenformel | C8H6F2O |
| Durchschnittliche Molmasse | 156,13 g/mol |
| Monoisotopische Masse | 156,03867113 g/mol |
| SMILES | O=C(c1ccccc1)C(F)F |
| InChIKey | OLYKCPDTXVZOQF-UHFFFAOYSA-N |
| PubChem CID | 273286 |
| EC No. | 641-292-5 |
| DTXSID | DTXSID80960133 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| Schmelzpunkt | 48-50°C |
| Siedepunkt | 53-54°C/12mm |
| Dichte | 1.180±0.06 g/mL |
| Brechungsindex | 1.4955 |
| Flammpunkt | 53-54°C/12mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | liquid |
| Löslichkeit | Immiscible with water. |
| InChI | 1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H |
| InChIKey | OLYKCPDTXVZOQF-UHFFFAOYSA-N |
| SMILES | FC(F)C(C1=CC=CC=C1)=O |
| CAS Datenbank | 395-01-7 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (86.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (86.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914790090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,2-Difluoroacetophenone acts as an intermediate in the preparation of various substances such as pharmaceuticals. Further, it is used in the one-pot synthesis of difluoromethylated arenes from aryl chlorides and bromides. In addition to this, it undergoes reduction with (-)-diisopinocampheylchloroborane chloride to get R-alcohols of purity 85% ee.