HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Monoethyl oxalate
Oxalic acid Monoethyl ester · xalic acid 1-ethyl ester · Oxalic acid 1-ethyl ester · (ethoxycarbonyl)formic acid · Ethanedioic acid 1-ethyl ester · Oxalic acid Monoethyl ester 98% · Oxalic acid hydrogen ethyl ester · Ethanedioic acid, Monoethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 617-37-8 |
|---|---|
| Summenformel | C4H6O4 |
| Durchschnittliche Molmasse | 118,09 g/mol |
| Monoisotopische Masse | 118,02660867 g/mol |
| SMILES | CCOC(=O)C(=O)O |
| InChIKey | JRMAQQQTXDJDNC-UHFFFAOYSA-N |
| PubChem CID | 74701 |
| EC No. | 624-672-5 |
| DTXSID | DTXSID00275731 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 107 |
| Schmelzpunkt | 195 °C (decomp) |
| Siedepunkt | 204.7±23.0 °C(Predicted) |
| Dichte | 1.274±0.06 g/cm3(Predicted) |
| Brechungsindex | n20/D1.424 |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | soluble in DMSO, Ethyl Acetate |
| pKa (Säurekonstante) | 1.53±0.54(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Light Brown |
| InChI | 1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6) |
| InChIKey | JRMAQQQTXDJDNC-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Eye Irrit. 2 (100%)Resp. Sens. 1 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 36-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 12 - Non Combustible Liquids |
| Gefahrenklasse | Eye Irrit. 2Resp. Sens. 1 |
Anwendungen & Verwendung
Verwenden
Oxalic Acid Ethyl Ester is a useful synthetic intermediate. It is used to synthesize 2-substituted 3-aryl-4(3H)-quinazolinones with anticonvulsant activities. It is also used to prepare nonbenzamidine tetrazole derivatives as factor Xa inhibitors.