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1,2,3,4,7,8-Hexachlorodibenzofuran
1,2,3,4,7,8-HXCDF · 1,2,3,4,7,8-HCDF · 1,2,3,4,7,8-HEXACDF · 123478HEXACHLORODIBENZO-PARA-FURAN · Hexachlorodibenzofuran, 1,2,3,4,7,8- · 1,2,3,4,7,8-HEXACHLORODIPHENYLENEOXIDE · 1,2,3,4,7,8-hexachlorodibenzo[b,d]furan · 1,2,3,4,7,8-Hexachlorodibenzofuran (>90%)
Identifikatoren & physikalische Daten
| CAS No. | 55684-94-1 |
|---|---|
| Summenformel | C12H2Cl6O |
| Durchschnittliche Molmasse | 374,9 g/mol |
| Monoisotopische Masse | 371,823681 g/mol |
| SMILES | Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl |
| InChIKey | LVYBAQIVPKCOEE-UHFFFAOYSA-N |
| PubChem CID | 51130 |
| ChEMBL | CHEMBL342717 |
| ChEBI | CHEBI:81509 |
| EC No. | 694-812-8 |
| DTXSID | DTXSID6029915 |
Chemische & physikalische Eigenschaften
| XLogP | 6,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 13,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 355 |
| Polymers | Other Classes -> Halogenated Polyaromatics |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 6.6 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 165.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| Schmelzpunkt | 226°C |
| Siedepunkt | 510.41°C (rough estimate) |
| Dichte | 1.7200 (estimate) |
| Brechungsindex | 1.7180 (rough estimate) |
| Löslichkeit | Chloroform (Very Slightly, Heated), Ethanol (Slightly)0.008247ug/L(22.5 ºC) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| Henry-Konstante | 6.9×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| EPA chemische Informationen | 1,2,3,4,7,8-Hexachlorodibenzofuran (70648-26-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationCarcinogenicityDermatotoxicityDevelopmental ToxicityEndocrine ToxicityEnvironmental PersistenceEnvironmental toxHematotoxicityHepatotoxicity and Digestive System ToxicityReproductive ToxicityRegulation (EC) No 178/2002 (amended) |
| Gefahrenübersicht | Teratogenicity observed in mice at doses not maternally toxic[Shepard's Catalog of Teratogenic Agents] Causes other liver changes in acute intraperitoneal studies of mice and ratsCauses changes in liver weight, other liver changes, and effects on hepatic microsomal mixed oxidase in 4-day intermittent oral studies of mice[RTECS] See CHLORINATED DIBENZOFURANS. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Protective Action Criteria (PAC) | 0.0013 [mg/m3]0.014 [mg/m3]0.085 [mg/m3] |
| Gesundheitliche Auswirkungen | CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952) |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Expositionspfade |
Anwendungen & Verwendung
Verwenden
1,2,3,4,7,8-hexachlorodibenzofuran, is a toxic polychlorinated dibenzofurans (PCDD/F), detected in domestic meat and poultry. It can be used as purified standards for analytical, toxic, and biological studies of these environmental contaminants.