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N-(3-Fluorphenyl)acetamid
N-(3-FLUOROPHENYL)ACETAMIDE · 3'-FLUOROACETANIL · M-FLUOROACETANILIDE · 3-FLUOROACETANILIDE · 3'-Fluoroacetanilide · 3-Fluoroacetanilide,98% · Acetanilide, 3'-fluoro- · 3'-Fluoroacetanilide>3'-Fluoroacetanilide 98%
Identifikatoren & physikalische Daten
| CAS No. | 351-28-0 |
|---|---|
| Summenformel | C8H8FNO |
| Durchschnittliche Molmasse | 153,15 g/mol |
| Monoisotopische Masse | 153,0589921 g/mol |
| SMILES | CC(=O)Nc1cccc(F)c1 |
| InChIKey | AQLLDCFUQXGLHM-UHFFFAOYSA-N |
| PubChem CID | 9594 |
| EC No. | 206-509-6 |
| DTXSID | DTXSID00188594 |
| Lokaler Name | N-(3-Fluorphenyl)acetamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| LogP (Verteilungskoeffizient) | 1.46 |
| Schmelzpunkt | 82-84 °C(lit.) |
| Siedepunkt | 293.3±23.0 °C(Predicted) |
| Dichte | 1.1655 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | methanol: soluble25mg/mL, clear, colorless to yellowinsoluble |
| pKa (Säurekonstante) | 14.34±0.70(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 2803073 |
| CAS Datenbank | 351-28-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3'-Fluoroacetanilide(351-28-0) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31737 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3''-Fluoroacetanilide is a reactant in the preparation of trifluoromethylaryl acetamides via Pd-catalyzed trifluoromethylation of aromatics C-H bond with Umemoto''s reagent directed by acetamino group.