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57653-85-7 | 1,2,3,6,7,8-Hexachlorodibenzodioxin
CAS No: 57653-85-7 Catalog No: AG003AQN MDL No:
Product Description
Catalog Number:
AG003AQN
Chemical Name:
1,2,3,6,7,8-Hexachlorodibenzodioxin
CAS Number:
57653-85-7
Molecular Formula:
C12H2Cl6O2
Molecular Weight:
390.8611
IUPAC Name:
1,2,3,6,7,8-hexachlorodibenzo-p-dioxin
InChI:
InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
InChI Key:
YCLUIPQDHHPDJJ-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)cc2c(c1Cl)Oc1c(O2)c(Cl)c(c(c1)Cl)Cl
UNII:
B94L7A4G3D
UN Number:
2811
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.816g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.846g/mol
Monoisotopic Mass:
387.819g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| Relative effective potencies of dioxin-like compounds in rodent and human lung cell models. | Toxicology 20180701 |
| Consensus toxicity factors for polychlorinated dibenzo-p-dioxins, dibenzofurans, and biphenyls combining in silico models and extensive in vitro screening of AhR-mediated effects in human and rodent cells. | Chemical research in toxicology 20150420 |
| Analysis of the CYP1A1 mRNA dose-response in human keratinocytes indicates that relative potencies of dioxins, furans, and PCBs are species and congener specific. | Toxicological sciences : an official journal of the Society of Toxicology 20101201 |
| An Environment-Wide Association Study (EWAS) on type 2 diabetes mellitus. | PloS one 20100101 |
| Serum concentrations of selected persistent organic pollutants in a sample of pregnant females and changes in their concentrations during gestation. | Environmental health perspectives 20090801 |
| Determination of some congeners of polychlorinated dibenzo-p-dioxins (PCDDs) in milk using gas chromatography. | Bulletin of environmental contamination and toxicology 20090601 |
| Prevalence of metabolic syndrome associated with body burden levels of dioxin and related compounds among Japan's general population. | Environmental health perspectives 20090401 |
| Association of organochlorine pesticides with peripheral neuropathy in patients with diabetes or impaired fasting glucose. | Diabetes 20081101 |
| Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism. | Chemical research in toxicology 20080401 |
| Association of a polychlorinated dibenzo-p-dioxin, a polychlorinated biphenyl, and DDT with diabetes in the 1999-2002 National Health and Nutrition Examination Survey. | Environmental research 20070301 |
| Cytochrome P450 1A4 and 1A5 in common cormorant (Phalacrocorax carbo): evolutionary relationships and functional implications associated with dioxin and related compounds. | Toxicological sciences : an official journal of the Society of Toxicology 20060801 |
| Aryl hydrocarbon receptor (AHR) and AHR nuclear translocator (ARNT) expression in Baikal seal (Pusa sibirica) and association with 2,3,7,8-TCDD toxic equivalents and CYP1 expression levels. | Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20050701 |
| Exposures among pregnant women near the World Trade Center site on 11 September 2001. | Environmental health perspectives 20050601 |
| Photodegradation of tetra- and hexachlorodibenzo-p-dioxins. | Journal of hazardous materials 20050411 |
| Evaluation of serum dioxin congeners among residents near continuously burning municipal solid waste incinerators in Korea. | International archives of occupational and environmental health 20050401 |
| PCDD/F and PCB in harbour seals (Phoca vitulina) from British Columbia: response to exposure to pulp mill effluents. | Marine environmental research 20050301 |
| Active elimination of causative PCDFs/DDs congeners of Yusho by one year intake of FBRA in Japanese people. | Fukuoka igaku zasshi = Hukuoka acta medica 20030501 |
| Fecal excretion of dioxin in mice enhanced by intake of dietary fiber bearing chlorophyllin. | Bulletin of environmental contamination and toxicology 20030201 |
| Structure-activity relationships and dose responses of polychlorinated dibenzo-p-dioxins for short-term effects in 2,3,7,8-tetrachlorodibenzo-p-dioxin-resistant and -sensitive rat strains. | Toxicology and applied pharmacology 20020515 |
| Relative potencies of polychlorinated dibenzo-p-dioxin, dibenzofuran, and biphenyl congeners to induce cytochrome P4501A mRNA in a zebrafish liver cell line. | Environmental toxicology and chemistry 20010501 |
| Serum levels of TCDD and dioxin-like chemicals in Rhesus monkeys chronically exposed to dioxin: correlation of increased serum PCB levels with endometriosis. | Toxicological sciences : an official journal of the Society of Toxicology 20010101 |
| Putative link between transcriptional regulation of IgM expression by 2,3,7,8-tetrachlorodibenzo-p-dioxin and the aryl hydrocarbon receptor/dioxin-responsive enhancer signaling pathway. | The Journal of pharmacology and experimental therapeutics 20001101 |
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