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2,2',3,4,4',5,5'-Heptachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.35065-29-3
Basic Description
Synonyms
UNII-52I0CG8IQX | 1,1'-Biphenyl, 2,2',3,4,4',5,5'-heptachloro- | 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene | 2,2',3,4,4',5,5'-HEPTACHLOROBIPHENYL | DTXSID6038299 | 2,2',3,4,4',5,5'-Heptachloro-1,1'-biphenyl | PCB 180 | PCB180 | 52I0CG8IQX
Specifications & Purity
100 ug/mL in Isooctane
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Chlorinated biphenyls
Direct Parent
Polychlorinated biphenyls
Alternative Parents
Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Polychlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene
INCHI
InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
InChIKey
WBHQEUPUMONIKF-UHFFFAOYSA-N
Smiles
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
Isomeric SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
WGK Germany
2
UN Number
2315
Packing Group
II
Molecular Weight
395.32
Beilstein
2509255
Reaxy-Rn
2509255
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2509255&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
395.300 g/mol
XLogP3
7.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
393.802 Da
Monoisotopic Mass
391.805 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
312.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
G2501611