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N,N-Oxalylbis(cyclohexanonhydrazon)
CUPRIZONE · CUPRIZON · Cuprizane · CUPRIZON 1 · CUPRIZON I · CUPRIZONE I · CUPFERAZONE · Cuprizonl,98%
Identifikatoren & physikalische Daten
| CAS No. | 370-81-0 |
|---|---|
| Summenformel | C14H22N4O2 |
| Durchschnittliche Molmasse | 278,35 g/mol |
| Monoisotopische Masse | 278,17427596 g/mol |
| SMILES | O=C(NN=C1CCCCC1)C(=O)NN=C1CCCCC1 |
| InChIKey | DSRJIHMZAQEUJV-UHFFFAOYSA-N |
| PubChem CID | 9723 |
| ChEBI | CHEBI:177802 |
| EC No. | 206-729-2 |
| DTXSID | DTXSID30861909 |
| Lokaler Name | N,N-Oxalylbis(cyclohexanonhydrazon) |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 373 |
| Schmelzpunkt | 210-214 °C(lit.) |
| Siedepunkt | 421.17°C (rough estimate) |
| Dichte | 1.0823 (rough estimate) |
| Brechungsindex | 1.6200 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | acetic acid: 50mg/mL, colorless to very faintly brownSoluble in alcohol. Insoluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 10.78±0.20(Predicted) |
| Farbe | White |
| BRN | 2388004 |
| InChI | 1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20) |
| InChIKey | DSRJIHMZAQEUJV-UHFFFAOYSA-N |
| SMILES | O=C(N\N=C1\CCCCC1)C(=O)N\N=C2/CCCCC2 |
| CAS Datenbank | 370-81-0(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanedioic acid, bis(cyclohexylidenehydrazide) (370-81-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.WarningH302 (11.1%): 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 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanedioic acid, bis(cyclohexylidenehydrazide)Ethanedioic acid, bis(cyclohexylidenehydrazide): Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29280090 |
| RTECS-Nr. | RO2520000 |
| R-Sätze (R) | 21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Bis(cyclohexanone) oxaldihydrazone is used in the quantitative spectroscopic determination of copper. It is also essential for the experimental study of mitochondrial metabolism. It is used to study the human demyelinating diseases such as multiple sclerosis and components of neuroinflammation. Further, it acts as ligand and catalyzes Ullmann-type C-N bond forming reactions in the presence of copper salt.