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HCID 108813Erstellt: 25. Oktober 2026
4-Ethyl-2,3-dioxopiperazin-1-carbonylchlorid
edpc · 4-Ethyl-2,3-dioxo-1- · Cefoperazone Impurity 50 · Trimethylsilyl cyanide(TMSC) · 4-Ethyl-2,3-dioxo-1-piperazine · -2,3-dioxopiperazine-1-carbonyL · Dioxo piperazine carbonyl chloride · 4-Ethyl-2,3-dioxopiperazine chloride
https://huagongshe.com/de/chemical/108813
Identifikatoren & physikalische Daten
| CAS No. | 59703-00-3 |
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| Summenformel | C7H9ClN2O3 |
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| Durchschnittliche Molmasse | 204,61 g/mol |
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| Monoisotopische Masse | 204,03016983 g/mol |
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| SMILES | CCN1CCN(C(=O)Cl)C(=O)C1=O |
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| InChIKey | SXVBQOZRZIUHKU-UHFFFAOYSA-N |
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| PubChem CID | 108813 |
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| EC No. | 261-867-0 |
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| DTXSID | DTXSID60208424 |
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| Lokaler Name | 4-Ethyl-2,3-dioxopiperazin-1-carbonylchlorid |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 57,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 266 |
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| Schmelzpunkt | 100 °C |
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| Siedepunkt | 292.9±23.0 °C(Predicted) |
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| Dichte | 1.408±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0Pa at 25℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Löslichkeit | Chloroform (Soluble), DMSO (Slightly)decomposes |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | -1.81±0.20(Predicted) |
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| Farbe | White |
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| Stabilität | Moisture Sensitive |
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| InChI | 1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3 |
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| InChIKey | SXVBQOZRZIUHKU-UHFFFAOYSA-N |
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| SMILES | CCN1CCN(C(Cl)=O)C(=O)C1=O |
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| LogP (Verteilungskoeffizient) | -1.48 |
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| CAS Datenbank | 59703-00-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 27.3% (6 of 22) of reports.DangerH314 (72.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19346 |
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| Hazard Classes and Categories | Skin Corr. 1C (72.7%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933599590 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 45-36/37/39-26 |
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| Lagerklasse | 13 - Non Combustible Solids |
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