Home Halogens 2,2',3,3',4,5,6-Heptachloro-1,1'-biphenyl

2,2',3,3',4,5,6-Heptachloro-1,1'-biphenyl

CAS No.:
68194-16-1
Catalog Number:
AG006D6N
Molecular Formula:
C12H3Cl7
Molecular Weight:
395.3232
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Product Description
Catalog Number:
AG006D6N
Chemical Name:
2,2',3,3',4,5,6-Heptachloro-1,1'-biphenyl
CAS Number:
68194-16-1
Molecular Formula:
C12H3Cl7
Molecular Weight:
395.3232
MDL Number:
MFCD00674480
IUPAC Name:
1,2,3,4,5-pentachloro-6-(2,3-dichlorophenyl)benzene
InChI:
InChI=1S/C12H3Cl7/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H
InChI Key:
PAYFWJAKKLILIT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
EC Number:
249-129-6
UNII:
V0QH7DT55P
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.802g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.306g/mol
Monoisotopic Mass:
391.805g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Literature
Title Journal
4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl-mediated decrease in serum thyroxine level in mice occurs through increase in accumulation of thyroxine in the liver. Drug metabolism and disposition: the biological fate of chemicals 20091001
Polychlorinated biphenyls and their hydroxylated metabolites (OH-PCBS) in pregnant women from eastern Slovakia. Environmental health perspectives 20070101
Occurrence of pesticides, polychlorinated biphenyls (PCBs), and heavy metals in sediments from the Dniester River, Moldova. Archives of environmental contamination and toxicology 20051101
Polychlorinated biphenyl residues in deep-sea fish from Mediterranean Sea. Environment international 20040501
Properties