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1,2,3,4,6,7,8-Heptachlorodibenzo-P-dioxin
1,2,3,4,6,7,8-HPCDD · D 73 · HpCDD · PCDD 73 · 1,2,3,4,6,7,8-CDD · 1,2,3,4,6,7,8-HCDD · 1,2,3,4,7,8,9-HpCDD · HEPTACHLORODIBENZODIOXIN

Identifikatoren & physikalische Daten
| CAS No. | 35822-46-9 |
|---|---|
| Summenformel | C12HCl7O2 |
| Durchschnittliche Molmasse | 425,3 g/mol |
| Monoisotopische Masse | 421,779623 g/mol |
| SMILES | Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2 |
| InChIKey | WCLNVRQZUKYVAI-UHFFFAOYSA-N |
| PubChem CID | 37270 |
| ChEBI | CHEBI:81505 |
| EC No. | 694-835-3 |
| DTXSID | DTXSID1052034 |
Chemische & physikalische Eigenschaften
| XLogP | 7,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 400 |
| Polymers | Other Classes -> Halogenated Polyaromatics |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 8.2 |
| Löslichkeit | Insoluble (NTP, 1992)Water solubility= 1.9X10-3 mg/l (measured)Chloroform (Very Slightly), DMF (Slightly, Heated)0.002565ug/L(26.0 ºC) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | 1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin is an off-white powder. Insoluble in water. (NTP, 1992)Off-white solid[CAMEO] White crystalline solid[MSDSonline] |
| Collision Cross Section | 174.9 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| Schmelzpunkt | 265°C |
| Siedepunkt | 506.1°C (rough estimate) |
| Dichte | 1.8860 (estimate) |
| Brechungsindex | 1.6710 (estimate) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Henry-Konstante | 5.6×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| EPA chemische Informationen | 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin (35822-46-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P203, P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationCarcinogenicityDermatotoxicityEndocrine ToxicityEnvironmental PersistenceEnvironmental toxHematotoxicityHepatotoxicity and Digestive System ToxicityReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include eye irritation, chloracne and liver damage. |
| Gefahrenübersicht | May cause chloracne[HSDB] An eye irritantCan be absorbed through skinMay cause chloracne and liver injury[CAMEO] See Dibenzo-p-dioxin and 2,3,7,8-Tetrachlorodibenzo-p-dioxin. |
| Reaktive Gruppe | Ethers |
| Special Reports | Skene SA et alHum Toxicol 8 (3): 173-204 (1989). Polychlorinated Dibenzo-P-Dioxins and Polychlorinated Dibenzofurans: The Risk to Human Health. A Review.WHOEnviron Health Criteria 88: Polychlorinated Dibenzo-p-dioxins and Dibenzofurans (1989)NRCCPolychlorinated Dibenzo-p-dioxins: Limitations to the Current Analytical Techniques, Publication NRCC No 18576 (1981). A technical review and assessment of the methodology for the analysis of polychlorinated dibenzo-p-dioxins in a variety of substrates. Analytical methodology was evaluated and safety procedures were suggested. |
Anwendungen & Verwendung
Verwenden
A toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.