HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
ethyl N-carbonylcarbamate
ETHYL ISOCYANATOFORMATE · ethyl carbonisocyanatidate · AURORA KA-7476 · Carbethoxyisocyanate · ethyl N-carbonylcarbaMate · Ethoxycarbonyl isocyanate · Ethyl N-(oxomethylene)carbamate · ethyl N-(oxoMethylidene)carbaMate
Identifikatoren & physikalische Daten
| CAS No. | 19617-43-7 |
|---|---|
| Summenformel | C4H5NO3 |
| Durchschnittliche Molmasse | 115,09 g/mol |
| Monoisotopische Masse | 115,02694302 g/mol |
| SMILES | CCOC(=O)N=C=O |
| InChIKey | VMVZGGPZNHFGKS-UHFFFAOYSA-N |
| PubChem CID | 300166 |
| EC No. | 626-050-9 |
| DTXSID | DTXSID80306153 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 25 °C/10 mmHg (lit.) |
| Dichte | 1.115 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.408(lit.) |
| Flammpunkt | 96 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.115 |
| Farbe | Clear colorless |
| InChI | 1S/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3 |
| InChIKey | VMVZGGPZNHFGKS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)N=C=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3080 6.1/PG 2 |
| Zollcode | 29291090 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 7-16-26-36/37/39 |
| Gefahrenklasse | 6.1(a)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Ethyl isocyanatoformate was used in the synthesis of ethyl[(phenylamino)carbonyl]carbamate by reacting with aniline.