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Cyclohexanhexaon
Hexaketocyclohexane · hexaoxocyclohexane octahydrate · cyclohexane-1,2,3,4,5,6-hexaone · Trquinoyl · triquinoyl · HexaketocycL · cyclohexanehexaone · hexaoxocyclohexane
Identifikatoren & physikalische Daten
| CAS No. | 527-31-1 |
|---|---|
| Summenformel | C6O6 |
| Durchschnittliche Molmasse | 168,06 g/mol |
| Monoisotopische Masse | 167,96948772 g/mol |
| SMILES | O=C1C(=O)C(=O)C(=O)C(=O)C1=O |
| InChIKey | PKRGYJHUXHCUCN-UHFFFAOYSA-N |
| PubChem CID | 68240 |
| EC No. | 208-412-4 |
| DTXSID | DTXSID80200662 |
| Lokaler Name | Cyclohexanhexaon |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 243 |
| Schmelzpunkt | 99 °C (dec.)(lit.) |
| Siedepunkt | 344.7±25.0 °C(Predicted) |
| Dichte | 1.967±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Powder |
| Farbe | Beige to gray-brown |
| BRN | 2091040 |
| InChI | InChI=1S/C6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | MQIMWEBORAIJPP-UHFFFAOYSA-N |
| SMILES | C1(=O)C(=O)C(=O)C(=O)C(=O)C1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29142990 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Hexaketocyclohexane octahydrate has been used in the preparation of hexaazatriphenylenehexacarbonitrile.