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57117-41-6 | 1,2,3,7,8-Pentachlorodibenzofuran
CAS No: 57117-41-6 Catalog No: AG0037L0 MDL No:
Product Description
Catalog Number:
AG0037L0
Chemical Name:
1,2,3,7,8-Pentachlorodibenzofuran
CAS Number:
57117-41-6
Molecular Formula:
C12H3Cl5O
Molecular Weight:
340.4166
IUPAC Name:
1,2,3,7,8-pentachlorodibenzofuran
InChI:
InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
InChI Key:
SBMIVUVRFPGOEB-UHFFFAOYSA-N
SMILES:
Clc1cc2c(cc1Cl)oc1c2c(Cl)c(c(c1)Cl)Cl
UNII:
QNE7ZLB7SS
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.405g/mol
Monoisotopic Mass:
337.863g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
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|---|---|
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| Relative potency based on hepatic enzyme induction predicts immunosuppressive effects of a mixture of PCDDS/PCDFS and PCBS. | Toxicology and applied pharmacology 20080315 |
| On-line monitoring system of P5CDF homologues in waste incineration plants using VUV-SPI-IT-TOFMS. | Environmental science & technology 20070515 |
| The 2005 World Health Organization reevaluation of human and Mammalian toxic equivalency factors for dioxins and dioxin-like compounds. | Toxicological sciences : an official journal of the Society of Toxicology 20061001 |
| Thyroid-hormone-disrupting chemicals: evidence for dose-dependent additivity or synergism. | Environmental health perspectives 20051101 |
| 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 |
| Brominated dioxin-like compounds: in vitro assessment in comparison to classical dioxin-like compounds and other polyaromatic compounds. | Environment international 20030901 |
| A mixture of dioxins, furans, and non-ortho PCBs based upon consensus toxic equivalency factors produces dioxin-like reproductive effects. | Toxicological sciences : an official journal of the Society of Toxicology 20030701 |
| Disposition of polychlorinated dibenzo-p-dioxins, dibenzofurans, and non-ortho polychlorinated biphenyls in pregnant long evans rats and the transfer to offspring. | Toxicology and applied pharmacology 20010601 |
| 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 |
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