HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3-Fluor-4-methoxyphenyl)ethan-1-on
Deracoxib 3-FMAP · BUTTPARK 153\33-60 · Deracoxib Impurity 1 · 3-FLURO-4-METHOXYACETOPHENONE · 3-FLUORO-4-METHOXYACETOPHENONE · 3'-FLUORO-4-METHOXYACETOPHENONE · 3'-Fluoro-4'-methoxyacetophenone · 3’-Fluoro-4’-methyoxyacetophenone
Identifikatoren & physikalische Daten
| CAS No. | 455-91-4 |
|---|---|
| Summenformel | C9H9FO2 |
| Durchschnittliche Molmasse | 168,16 g/mol |
| Monoisotopische Masse | 168,05865775 g/mol |
| SMILES | COc1ccc(C(C)=O)cc1F |
| InChIKey | LQASUDVYVOFKNK-UHFFFAOYSA-N |
| PubChem CID | 96828 |
| EC No. | 207-253-8 |
| DTXSID | DTXSID30196541 |
| Lokaler Name | 1-(3-Fluor-4-methoxyphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 170 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 92-94 °C(lit.) |
| Siedepunkt | 147-148 °C20 mm Hg(lit.) |
| Dichte | 1.1410 (estimate) |
| Flammpunkt | 147-148°C/20mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 2084062 |
| InChI | 1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3 |
| InChIKey | LQASUDVYVOFKNK-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1F)C(C)=O |
| CAS Datenbank | 455-91-4(CAS DataBase Reference) |
| NIST chemische Informationen | Acetophenone, 3'-fluoro-4'-methoxy-(455-91-4) |
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 102 reports by companies from 8 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 | 2914790090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3’-Fluoro-4’methoxyacetophenone is used in the synthesis chalcones,
Herstellung & Synthese
synthetische
Obtained by fluorination of 4-methoxyacetophenone with manganese (IV) tetrafluoride formed in situ using manganese (IV) dioxide and pyridinium polyhydrogenofluoride under very mild conditions.