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HCID 360968Erstellt: 1. November 2026
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dinitro-
DINITRODIBENZO-18-CROWN-6 · trans-4,5'-dinitrodibenzo-18-c · trans-di(nitrobenzo)-18-crown-6 · trans-4,5'-Dinitrodibenzo-18-crown-6 · trans-4,5'-Dinitrodibenzo-18-crown-6,98% · 4,4-DINITRODIBENZO-18-CROWN-6 (CATALOG # 1220A) · Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dinitro-
https://huagongshe.com/de/chemical/360968
Identifikatoren & physikalische Daten
| CAS No. | 32082-45-4 |
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| Summenformel | C20H22N2O10 |
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| Durchschnittliche Molmasse | 450,4 g/mol |
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| Monoisotopische Masse | 450,1274449 g/mol |
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| SMILES | O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCO2 |
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| InChIKey | JLRXOTNWTNNRCW-UHFFFAOYSA-N |
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| PubChem CID | 360968 |
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| ChEMBL | CHEMBL1976076 |
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| EC No. | 106-053-7 |
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| DTXSID | DTXSID20326951 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 147 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 10 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 32 |
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| Formalladung | 0 |
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| Komplexität | 534 |
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| Schmelzpunkt | 210-212 °C(Solv: chloroform (67-66-3)) |
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| Siedepunkt | 621.3±55.0 °C(Predicted) |
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| Dichte | 1.291±0.06 g/cm3(Predicted) |
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| InChI | InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2 |
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| InChIKey | JLRXOTNWTNNRCW-UHFFFAOYSA-N |
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| SMILES | O1CCOCCOC2=CC([N+]([O-])=O)=CC=C2OCCOCCOC2=CC([N+]([O-])=O)=CC=C12 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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| Zollcode | 29329900 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 37/39-26 |
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![Molekülstruktur von Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dinitro-](/img/chemical/360968.png)