HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20064Erstellt: 25. Oktober 2026
Ethylcarbazat
ETHYL HYDRAZINECARBOXYLATE · Ethyl carbazinate · HYDRAZINOCARBOXYLIC ACID ETHYL ESTER · AKOS 90785 · ETHYL CARBAZATE · ethylecarbazate · ethylcarbazinate · Ethyl Carbazatecas
https://huagongshe.com/de/chemical/20064
Identifikatoren & physikalische Daten
| CAS No. | 4114-31-2 |
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| Summenformel | C3H8N2O2 |
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| Durchschnittliche Molmasse | 104,11 g/mol |
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| Monoisotopische Masse | 104,0585775 g/mol |
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| SMILES | CCOC(=O)NN |
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| InChIKey | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
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| PubChem CID | 20064 |
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| EC No. | 223-903-3 |
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| DTXSID | DTXSID1063308 |
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| Lokaler Name | Ethylcarbazat |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 64,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 64 |
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| Schmelzpunkt | 44-47 °C (lit.) |
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| Siedepunkt | 108-110 °C/22 mmHg (lit.) |
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| Dichte | 1.2719 (rough estimate) |
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| Brechungsindex | 1.4715 (estimate) |
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| Flammpunkt | 187 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
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| pKa (Säurekonstante) | 10.72±0.20(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | White to cream |
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| Löslichkeit | Very soluble in water. |
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| BRN | 878265 |
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| InChI | 1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6) |
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| InChIKey | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)NN |
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| CAS Datenbank | 4114-31-2(CAS DataBase Reference) |
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| NIST chemische Informationen | Hydrazinecarboxylic acid, ethyl ester(4114-31-2) |
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| EPA chemische Informationen | Hydrazinecarboxylic acid, ethyl ester (4114-31-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (10.4%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (87.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29280090 |
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| RTECS-Nr. | FE2545000 |
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| R-Sätze (R) | 36/37/38-25 |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 26-36-45 |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
Prepare 4-phenylurazole from ethyl carbazate and then oxidize the urazole with gaseous dinitrogen tetroxide to yield 4-phenyl-1,2,4-tri- azoline-3,5-dione la. Modification of the ethyl carbazate procedure in which analytically pure monoalkylhydrazine hydrochlorides were isolated in greater than 90% yield, starting from a ketone or aldehyde. Treatment of primary amines is with chloroamine or hydroxylamine-0-sulfonic acid and the condensation of a carbonyl compound with ethyl carbazate. The FeCl 3 -catalyzed reaction of ethyl carbazate (2 b) proceeded readily to give β-hydroxyester 3 b in better yield. A new one-pot neat synthesis of some 5-aryl-2,4-dihydro-3H-1,2,4-triazol-3-ones through cyclocondensation of ethyl carbazate with aryl nitriles catalyzed by DMAP as an efficient and basic nucleophilic catalyst is described.
