HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoate
Ethyl 2 · SKL919 · Levofloxacin-17 · Levofloxacin Impurity V · 5-tetrafluorobenzoyl acetate · Ethyl(2,3,4,5-tetrafluorobenzo · ethy-2,3,4,5-tetrafluorobenzoylacetate · ETHYL 2,3,4,5-TETRAFLUOROBENZOYL ACETATE
Identifikatoren & physikalische Daten
| CAS No. | 94695-50-8 |
|---|---|
| Summenformel | C11H8F4O3 |
| Durchschnittliche Molmasse | 264,17 g/mol |
| Monoisotopische Masse | 264,040957 g/mol |
| SMILES | CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F |
| InChIKey | KWDVJYLIAJHEOW-UHFFFAOYSA-N |
| PubChem CID | 600916 |
| EC No. | 700-167-6 |
| DTXSID | DTXSID70344983 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 323 |
| Schmelzpunkt | 41-44°C |
| Siedepunkt | 100 °C / 0.1mmHg |
| Dichte | 1.384 |
| Flammpunkt | 123℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.51±0.50(Predicted) |
| Farbe | Off-White to Beige |
| InChI | InChI=1S/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3 |
| InChIKey | KWDVJYLIAJHEOW-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CC(C1=CC(F)=C(F)C(F)=C1F)=O |
| CAS Datenbank | 94695-50-8(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1112 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29183000 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Ethyl 2,3,4,5-tetrafluorobenzoyl acetate is a fluorinated benzoylacetate used as a synthetic reagent in the preparation of antibacterial and potential antitumor agents.