HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-3-furoat
Ethyl furan-3-carboxylate · ETHYL 3-FUROATE · Ethyl-3-fluroate · Ethyl 3-furoate,99% · RARECHEM AL BI 0196 · Ethyl 3-furoate 98% · Ethyl 3-furoate, GC 99% · ETHYL 3-FURANCARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 614-98-2 |
|---|---|
| Summenformel | C7H8O3 |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,04734411 g/mol |
| SMILES | CCOC(=O)c1ccoc1 |
| InChIKey | LOFDXZJSDVCYAS-UHFFFAOYSA-N |
| PubChem CID | 69201 |
| ChEBI | CHEBI:193961 |
| EC No. | 210-403-5 |
| DTXSID | DTXSID90210333 |
| Lokaler Name | Ethyl-3-furoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Siedepunkt | 93-95 °C35 mm Hg(lit.) |
| Dichte | 1.038 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.46(lit.) |
| Flammpunkt | 139 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| InChI | InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3 |
| InChIKey | LOFDXZJSDVCYAS-UHFFFAOYSA-N |
| SMILES | O1C=CC(C(OCC)=O)=C1 |
| LogP (Verteilungskoeffizient) | 1.780 |
| CAS Datenbank | 614-98-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29321900 |
| Gefahrensymbole | Xi,H226 |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 3-furoate was used as starting reagent for the synthesis of ethyl 2,3-bis(trifluoromethyl)-7-oxabicyclo[2,2,1]hepta-2,5-diene-5-carboxylate and 4-(1-hydroxy-1-methyl-ethyl)-furan-2-sulfonamide.