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Ethylcyanformiat
ethyl carbonocyanidate · 2-ethoxy-2-oxoacetonitrile · cyanoformate · CYANOFORMIC ACID ETHYL ESTER · NSC 65347 · C2H5OC(O)CN · ETHYL CYANOFORMATE · Ethyl cyanocarbonate
Identifikatoren & physikalische Daten
| CAS No. | 623-49-4 |
|---|---|
| Summenformel | C4H5NO2 |
| Durchschnittliche Molmasse | 99,09 g/mol |
| Monoisotopische Masse | 99,0320284 g/mol |
| SMILES | CCOC(=O)C#N |
| InChIKey | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| PubChem CID | 69336 |
| EC No. | 210-797-9 |
| DTXSID | DTXSID0060771 |
| Lokaler Name | Ethylcyanformiat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 110 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 115-116 °C (lit.) |
| Dichte | 1.003 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.381(lit.) |
| Flammpunkt | 76 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Miscible with chloroform and methanol. |
| Aggregatzustand | Liquid |
| Wichte | 1.01 |
| Farbe | Clear colorless |
| BRN | 635955 |
| InChI | 1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3 |
| InChIKey | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C#N |
| CAS Datenbank | 623-49-4(CAS DataBase Reference) |
| NIST chemische Informationen | NCCOOC2H5(623-49-4) |
| EPA chemische Informationen | Carbonocyanidic acid, ethyl ester (623-49-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Carbonocyanidic acid, ethyl esterEthyl cyanoformate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | Hydrolyzed by waterCauses burnsToxic by ingestion, inhalation, and skin absorption[Alfa Aesar MSDS] See NITRILES. |
| Hazard Classes and Categories | Flam. Liq. 3 (97.9%) |
| Expositionsschutz und Persönliche Schutzausrüstung | TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016]. |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3275 6.1/PG 2 |
| Zollcode | 29269090 |
| R-Sätze (R) | 10-23/24/25-34-36/37/38 |
Anwendungen & Verwendung
Verwenden
Ethyl cyanoformate is used as reagent in the preparation of N-substituted amindinoformic acid and ethyl-4-quinazoline -2-carboxylate.