HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Fluoro-3'-nitroacetophenone
4-FLUORO-3-NITROACETOPHENONE · 1-(4-Fluoro-3-nitrophenyl)ethan-1-one · 4′-Fluor-3′-nitroacetophenon · 4-Fluoro-3-nitroacetophneone · 4'-Fuoro-3'-nitroacetophenone · 4-FLUORO-3'-NITROACETOPHENONE · 4'-Fluoro-3'-notroacetophenone · 4'-Fluoro-3'-nitroacetophenone
Identifikatoren & physikalische Daten
| CAS No. | 400-93-1 |
|---|---|
| Summenformel | C8H6FNO3 |
| Durchschnittliche Molmasse | 183,14 g/mol |
| Monoisotopische Masse | 183,03317127 g/mol |
| SMILES | CC(=O)c1ccc(F)c([N+](=O)[O-])c1 |
| InChIKey | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
| PubChem CID | 2734612 |
| EC No. | 626-780-8 |
| DTXSID | DTXSID60370392 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 226 |
| Schmelzpunkt | 47-51 °C |
| Siedepunkt | 118-120°C 0,8mm |
| Dichte | 1.336±0.06 g/cm3(Predicted) |
| Flammpunkt | 118-120°C/0.8mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light yellow |
| BRN | 2211976 |
| InChI | 1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3 |
| InChIKey | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(F)c(c1)[N+]([O-])=O |
| CAS Datenbank | 400-93-1(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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29143990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4''-Fluoro-3''-nitroacetophenone is used as reactant/reagent in preparation of substituted furans via copper-catalyzed radical addition of acetophenones to alkynes.