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1,3,7,8-Tetrachlorodibenzo-P-dioxin

HCID 39732
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Grundinformationen

CAS
50585-46-1
Standard-SMILES
Clc1cc(Cl)c2c(c1)Oc1cc(Cl)c(Cl)cc1O2
InChIKey
VPTDIAYLYJBYQG-UHFFFAOYSA-N
Summenformel
C12H4Cl4O2
Durchschnittliche Molmasse
322 g/mol
Monoisotopische Masse
319,89654

Überblick

1,3,7,8-Tetrachlorodibenzo-p-dioxin is one of 75 chlorinated dibenzo-p-dioxin (CDD) congeners. CDDs are a class of manufactured chemicals that consist of dioxin skeletel structures with chlorine substituents. They are also persistent organic pollutants (POPs), thus their production is regulated in most areas. Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)

Namen und Bezeichner

Bevorzugter Name
1,3,7,8-Tetrachlorodibenzo-P-dioxin
IUPAC
1,3,7,8-tetrachlorodibenzo-p-dioxin
Englischer Name
1,3,7,8-Tetrachlorodibenzo-p-dioxin
Summenformel
C12H4Cl4O2
Molmasse
321.97

Namen und Synonyme

1,3,7,8-TETRACHLORODIBENZO-P-DIOXIN50585-46-11,3,7,8-TetrachlorodibenzodioxinDibenzo-p-dioxin, 1,3,7,8-tetrachloro-1,3,7,8-Tetrachlorodibenzo-para-dioxinDibenzo(b,e)(1,4)dioxin, 1,3,7,8-tetrachloro-85WEE3RG9K1,3,7,8-Tetrachlorodibenzo-4-dioxin1,3,7,8-TCDDRefChem:72405PCDD 44CHEMBL136222
Weitere Namen anzeigen
1,2,7,9-Tetrachlorooxanthrene1,3,7,8-tetrachloro-dibenzo-p-dioxiDibenzo-p-dioxin, 1,2,7,9-tetrachloro1,3,7,8-Tetrachlorodibenzo[1,4]dioxine)(1,4)dioxin,1,3,7,8-tetrachloro-dibenzo(
BRN 1320995UNII-85WEE3RG9K1,3,7,8-TETRACHLOROOXANTHRENESCHEMBL9345588SCHEMBL31696700DTXSID30872030VPTDIAYLYJBYQG-UHFFFAOYSA-NBDBM50408316

Datenbank-Bezeichner

CAS
50585-46-1
PubChem CID
39732
DTXSID
DTXSID30872030

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,3
Polarare Oberfläche (TPSA)
18,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
18
Formalladung
0
Komplexität
316

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point
LogP6.3
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
194.25 °C · 194.25°C
Siedepunkt
407.62 °C · 407.62°C (rough estimate)
Dichte
1.643 · 1.6430 (estimate)
Brechungsindex
1.643 · 1.6430 (estimate)
Henry's Law Constant
7.8 · 7.8×10-1 mol/(m3Pa) at 25℃, Wang and Wong (2002)
EPA chemische Informationen
1 · 1,3,7,8-Tetrachlorodibenzo-p-dioxin (50585-46-1)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheit und Schutzausrüstung

Minimum Risk LevelAcute Oral: 0.0002 ug/kg/day (L134) Intermediate Oral: 0.00002 ug/kg/day (L134) Chronic Oral: 0.000001 ug/kg/day (L134)

Toxikologische Informationen

TreatmentTreatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346)
Health Effects · 1 Eintrag

Exposure to large amounts of CDDs causes chloracne, a severe skin disease with acne-like lesions that occur mainly on the face and upper body. CDDs may also cause liver damage and induce long-term alterations in glucose metabolism and subtle changes in hormonal levels. In addition, studies have shown that CDDs may disrupt the endocrine system and weaken the immune system, as well as cause reproductive damage and birth defects, central and peripheral nervous system pathology, thyroid disorders, endometriosis, and diabetes. (L177, L178)

Exposure RoutesOral (L177) ; inhalation(L177) ; dermal (L177)
Toxicity Summary · 1 Eintrag

CDDs cause their toxic effects by binding to the aryl hydrocarbon receptor and subsequently altering the trascription of certain genes. The affinity for the Ah receptor depends on the structure of the specific CDD. The change in gene expression may result from the direct interaction of the Ah receptor and its heterodimer-forming partner, the aryl hydrocarbon receptor nuclear translocator, with gene regulatory elements or the initiation of a phosphorylation/dephosphorylation cascade that subsequently activates other transcription factors. The affected genes include several oncogenes, growth factors, receptors, hormones, and drug-metabolizing enzymes. The change in transcription/translation of these genes is believed to be the cause of most of the toxic effects of CDDs. (L177)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the faeces, though smaller amounts are excreted in the urine and via lactation. (L177)

Verwendung und Herstellung

Uses · 1 Eintrag

Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)

Anwendungen

Verwenden1,3,7,8-Tetrachlorodibenzo-p-dioxin is a standard used in environmental testing and research such as in the study of dioxin contaminants in natural lakes and rivers.

Anbieter6 Anbieter

上海稳同科技有限公司02151600108 13062666369 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
ChEMBL
CHEMBL136222
UNII
85WEE3RG9K
Nikkaji
J74.780G
Signs and Symptoms
In addition to chloracne, CDD exposure causes skin rashes, discoloration, and excessive body hair. (L177)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]