HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 23112Erstellt: 26. Oktober 2026
Ethylcyanacetylcarbamat
Ethyl (2-cyanoacetyl)carbaMate · ETHYL N-(2-CYANOACETYL)CARBAMATE · Cyanoacetylurethan · NSC 59709 · N-Cyanourethane · 2-Cyanoacetylurethane · Ethyl (2-cyanoacetyl) · N-Cyanoacetylurethane
https://huagongshe.com/de/chemical/23112
Identifikatoren & physikalische Daten
| CAS No. | 6629-04-5 |
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| Summenformel | C6H8N2O3 |
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| Durchschnittliche Molmasse | 156,14 g/mol |
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| Monoisotopische Masse | 156,05349212 g/mol |
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| SMILES | CCOC(=O)NC(=O)CC#N |
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| InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N |
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| PubChem CID | 23112 |
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| EC No. | 229-615-4 |
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| DTXSID | DTXSID50216497 |
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| Lokaler Name | Ethylcyanacetylcarbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 0 |
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| Polarare Oberfläche (TPSA) | 79,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 203 |
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| Schmelzpunkt | 167-169 °C (lit.) |
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| Siedepunkt | 280.35°C (rough estimate) |
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| Dichte | 1.197 |
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| Brechungsindex | 1.5010 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | DMSO, Methanol |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 3.46±0.10(Predicted) |
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| Farbe | Pale Yellow |
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| InChI | InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10) |
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| InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N |
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| SMILES | C(OCC)(=O)NC(CC#N)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 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. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2926907090 |
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| RTECS-Nr. | EZ3480000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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