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2,3,7,8-Tetrabromodibenzo-p-dioxin
2,3,7,8-TeBDD · 2,3,7,8-tetrabromodibenzodioxin · 2,3,7,8-tetrabromodibenzodioxine · 2,3,7,8-tetrabromo-dibenzo-p-dioxi · 2,3,7,8-tetrabromodibenzo-4-dioxin · 2,3,7,8-Tetrabromodibenzo-p-dioxin · 2,3,7,8-TETRABROMODIBENZO-PARA-DIOXIN · 2,3,7,8-Tetrabromodibenzo[b,e][1,4]dioxin
Identifikatoren & physikalische Daten
| CAS No. | 50585-41-6 |
|---|---|
| Summenformel | C12H4Br4O2 |
| Durchschnittliche Molmasse | 499,77 g/mol |
| Monoisotopische Masse | 495,69448 g/mol |
| SMILES | Brc1cc2c(cc1Br)Oc1cc(Br)c(Br)cc1O2 |
| InChIKey | JZLQUWSWOJPCAK-UHFFFAOYSA-N |
| PubChem CID | 39729 |
| ChEMBL | CHEMBL341968 |
| ChEBI | CHEBI:77565 |
| DTXSID | DTXSID6073524 |
Chemische & physikalische Eigenschaften
| XLogP | 6,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 258 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 6.5 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 169.4 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| Schmelzpunkt | 334 °C |
| Siedepunkt | 467.5±45.0 °C(Predicted) |
| Dichte | 2.3371 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Henry-Konstante | 3.0×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| EPA chemische Informationen | 2,3,7,8-Tetrabromodibenzo-p-dioxin (50585-41-6) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Hazard Traits - BioaccumulationEnvironmental Persistence |
|---|
Anwendungen & Verwendung
Verwenden
2,3,7,8-Tetrabromodibenzo-p-dioxin is used in the development of analytical methods for the detection of PBDD/DF in environmental samples.