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Methyl-2-methylfuran-3-carboxylat
Methyl 2-methylfuran-3-carboxylate · Methyl 2-methylfurane-3-carboxylate · 2-Methyl-3-furancarboxylic acid methyl ester · Compound Fr13769 · AKOS BBS-00004384 · METHYL 2-METHYL-3-FUROATE · 2-methyl-3-acidmethyl ester · Methyl 2-methyl-3-furoate,97%
Identifikatoren & physikalische Daten
| CAS No. | 6141-58-8 |
|---|---|
| Summenformel | C7H8O3 |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,04734412 g/mol |
| SMILES | COC(=O)c1ccoc1C |
| InChIKey | UVRRIABXNIGUJZ-UHFFFAOYSA-N |
| PubChem CID | 80237 |
| EC No. | 228-132-6 |
| DTXSID | DTXSID40210343 |
| Lokaler Name | Methyl-2-methylfuran-3-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| Siedepunkt | 75 °C20 mm Hg(lit.) |
| Dichte | 1.116 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.473(lit.) |
| Flammpunkt | 147 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| BRN | 1342040 |
| InChI | InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3 |
| InChIKey | UVRRIABXNIGUJZ-UHFFFAOYSA-N |
| SMILES | O1C=CC(C(OC)=O)=C1C |
| LogP (Verteilungskoeffizient) | 1.730 (est) |
| CAS Datenbank | 6141-58-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Furancarboxylic acid, 2-methyl-, methyl ester |
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 2-methyl-3-furoate is a useful building block used in a variety of synthetic applications, such as the nickel-catalyzed amide bond formation from methyl esters, and gold-catalyzed arylation by arylsilanes.