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2,2',4,4',5,5'-Hexachlorobiphenyl - analytical standard, high purity , CAS No.35065-27-1
Basic Description
Synonyms
2,2',4,4',5,5'-Hexachlorobiphenyl | 35065-27-1 | 1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro- | PCB 153 | HCBP | 2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl | 2,4,5,2',4',5'-Hexachlorobiphenyl | CB-153 | CCRIS 9204 | 2,2',4,4'5,5'-Hexachlorobiphenyl | HSDB 3946 | UNII-ZRU0C9E32O | Biph
Specifications & Purity
analytical standard
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.
Grade
analytical standard
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
hexachlorobiphenyl
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.
Associated Targets(Human)
Associated Targets(non-human)
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
1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene
INCHI
InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
InChIKey
MVWHGTYKUMDIHL-UHFFFAOYSA-N
Smiles
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
Isomeric SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
WGK Germany
3
UN Number
3432
Packing Group
II
Molecular Weight
360.88
Beilstein
1990497
Reaxy-Rn
1990497
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990497&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
>100°C
Molecular Weight
360.900 g/mol
XLogP3
7.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
359.841 Da
Monoisotopic Mass
357.844 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
258.000
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
1.
Hao Li, Canyuan Lin, Ruhui Ma, Yuancai Chen.
(2023)
π–π stack driven competitive /complementary adsorption of aromatic compounds on MIL-53(Al). CHEMOSPHERE,
337
(139377).
2.
Shuo Wang, Pengfei Li, Yehong Han, Haiyan Liu, Hongyuan Yan.
(2022)
Selective enrichment and determination of polychlorinated biphenyls in milk by solid-phase microextraction using molecularly imprinted phenolic resin fiber coating. ANALYTICA CHIMICA ACTA,
1227
(340328).
3.
Juping Liu, Huawei Zhang, Shijuan Zhang, Wenwen Wang, Jinmao You.
(2020)
A new 3D COF with excellent fluorescence response for water and good adsorption performance for polychlorinated biphenyls. MICROCHEMICAL JOURNAL,
157
(104912).
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3 Citations
C2027102