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2'-Fluoro-4'-methoxyacetophenone
1-(2-fluoro-4-Methoxyphenyl)ethan-1-one · 4-ACETYL-3-FLUOROANISOLE · 4-Methoxyphenacyl fluoride · 2-fluor-4-methoxyacetophenone · 2'-Fluoro-4'-Methoxyacetoph... · 2-FLUORO-4-METHXOYACETOPHENONE · 2-FLUORO-4-METHOXYACETOPHENONE · 2'-Fluoro-4'-methoxyacetophenone
Identifikatoren & physikalische Daten
| CAS No. | 74457-86-6 |
|---|---|
| Summenformel | C9H9FO2 |
| Durchschnittliche Molmasse | 168,16 g/mol |
| Monoisotopische Masse | 168,05865775 g/mol |
| SMILES | COc1ccc(C(C)=O)c(F)c1 |
| InChIKey | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| PubChem CID | 592821 |
| EC No. | 627-765-9 |
| DTXSID | DTXSID30343871 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 170 |
| Schmelzpunkt | 52-54 °C(lit.) |
| Siedepunkt | 80-85 °C (0.1 mmHg) |
| Dichte | 1.1410 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Viscous Solution |
| Farbe | Clear colorless |
| Löslichkeit | Insoluble |
| BRN | 3539992 |
| InChI | 1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3 |
| InChIKey | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(C)=O)c(F)c1 |
| CAS Datenbank | 74457-86-6(CAS DataBase Reference) |
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2′-Fluoro-4′-methoxyacetophenone may be used in chemical synthesis.
Herstellung & Synthese
synthetische
Obtained by reaction of acetic anhydride with 3-fluoroanisole in the presence of aluminium chloride in carbon disulfide at r.t., then at 30–35° until no more hydrochloric acid is evolved.