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Ethyl 5-(chloromethyl)-2-furancarboxylate
ethyl 5-(chloroMethyl)furan-2-carboxylate · NSC 97518 · BUTTPARK 96\50-29 · ETHYL 5-(CHLOROMETHYL)-2-FUROATE · Ethyl 5-(chloromethyl)-2-furoate 95+% · Ethyl 5-(chloromethyl)-2-furancarboxy · Ethyl 5-(chloromethyl)-2-furoate, GC 95% · Ethyl 5-(chloromethyl)-2-furancarboxylate
Identifikatoren & physikalische Daten
| CAS No. | 2528-00-9 |
|---|---|
| Summenformel | C8H9ClO3 |
| Durchschnittliche Molmasse | 188,61 g/mol |
| Monoisotopische Masse | 188,02402183 g/mol |
| SMILES | CCOC(=O)c1ccc(CCl)o1 |
| InChIKey | JBACYJRMCXLIQU-UHFFFAOYSA-N |
| PubChem CID | 263166 |
| EC No. | 671-714-3 |
| DTXSID | DTXSID90294638 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 160 |
| Siedepunkt | 115 °C0.015 mm Hg(lit.) |
| Dichte | 1.225 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.225 |
| Farbe | Clear yellow |
| InChI | 1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3 |
| InChIKey | JBACYJRMCXLIQU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(CCl)o1 |
| CAS Datenbank | 2528-00-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| R-Sätze (R) | 38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 5-(chloromethyl)-2-furancarboxylate may be employed for the synthesis of a series of novel sulfamide- and urea-based small-molecule antagonists of the protein-protein interaction IL-2/IL-2Rα. It may be employed as starting material for the synthesis of 5-hydroxymethylfuran-2-carboxylic acid.