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HCID 87005Erstellt: 24. Oktober 2026
Diethyl-(2-cyanethyl)malonat
Diethyl 2-cyanomalonate · DK583 · DKSI155 · DKFELEX0146 · TIMTEC-BB SBB000530 · DIETHYL 2-(2-CYANOET · DIETHYL (2-CYANOETHYL)MALONATE · Diethyl 2-(2-cyanoethyl)malonate
https://huagongshe.com/de/chemical/87005
Identifikatoren & physikalische Daten
| CAS No. | 17216-62-5 |
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| Summenformel | C10H15NO4 |
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| Durchschnittliche Molmasse | 213,23 g/mol |
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| Monoisotopische Masse | 213,10010796 g/mol |
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| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
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| InChIKey | YJJLOESDBPRZIP-UHFFFAOYSA-N |
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| PubChem CID | 87005 |
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| EC No. | 241-260-7 |
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| DTXSID | DTXSID30169210 |
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| Lokaler Name | Diethyl-(2-cyanethyl)malonat |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 76,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 248 |
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| Siedepunkt | 115-118 °C2 mm Hg(lit.) |
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| Dichte | 1.078 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.436(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 12.15±0.59(Predicted) |
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| Farbe | Colorless to Light yellow |
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| BRN | 1790237 |
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| InChI | 1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3 |
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| InChIKey | YJJLOESDBPRZIP-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
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| CAS Datenbank | 17216-62-5(CAS DataBase Reference) |
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| NIST chemische Informationen | Diethyl 2-(2-cyanoethyl)-malonate(17216-62-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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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| UN-Transportnummer | 3276 |
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| Zollcode | 29269095 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 36-26 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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