HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluoracetophenon
1-(4-Fluorophenyl)ethan-1-one · 1-(4-FLUOROPHENYL)ETHANONE · P-FLUOROACETOPHENONE · 4-Fluoracetophenon · 4'-Fluoroacetophenone · p-Fluoro · AKOS BBS-00003234 · Fluoroacetophenone3
Identifikatoren & physikalische Daten
| CAS No. | 403-42-9 |
|---|---|
| Summenformel | C8H7FO |
| Durchschnittliche Molmasse | 138,14 g/mol |
| Monoisotopische Masse | 138,04809306 g/mol |
| SMILES | CC(=O)c1ccc(F)cc1 |
| InChIKey | ZDPAWHACYDRYIW-UHFFFAOYSA-N |
| PubChem CID | 9828 |
| ChEMBL | CHEMBL257923 |
| EC No. | 206-960-9 |
| DTXSID | DTXSID0059952 |
| Lokaler Name | 4-Fluoracetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| Stoffklassen | Other Classes -> Aromatic Ketones, Halogenated |
| Arzneimittel | Pharmaceuticals -> Metabolite of Pipamperone |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.74 |
| Dampfdruck | 0.75 [mmHg] |
| Physical Description | Colorless to yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 4 °C |
| Siedepunkt | 77-78 °C10 mm Hg(lit.) |
| Dichte | 1.143 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | 160 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate |
| Aggregatzustand | Liquid |
| Wichte | 1.138 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 386013 |
| InChI | 1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
| InChIKey | ZDPAWHACYDRYIW-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(F)cc1 |
| CAS Datenbank | 403-42-9(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(4-fluorophenyl)-(403-42-9) |
| EPA chemische Informationen | 4'-Fluoroacetophenone (403-42-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.5%): 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 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(4-fluorophenyl)- |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See alpha-Chloroacetophenone and 4-Chloroacetophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (98.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-23 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.