The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2,2',3,3',4,5,5',6-Octachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.68194-17-2
Basic Description
Synonyms
2,2',3,3',4,5,5',6-Octachlorobiphenyl | 68194-17-2 | UNII-881FKL14GM | 881FKL14GM | PCB 198 | 1,1'-Biphenyl, 2,2',3,3',4,5,5',6-octachloro- | 1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene | DTXSID1074204 | 2,2'3,3',4,5,5',6-Octachloro-1,1'-biphenyl | 2,2',3,3',4,5
Specifications & Purity
100 ug/mL in Isooctane
Shipped In
Normal
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.
Names and Identifiers
IUPAC Name
1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene
INCHI
InChI=1S/C12H2Cl8/c13-3-1-4(7(15)5(14)2-3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKey
PJHBSPRZHUOIAS-UHFFFAOYSA-N
Smiles
C1=C(C=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Isomeric SMILES
C1=C(C=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Molecular Weight
429.77
Reaxy-Rn
8160372
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8160372&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
429.800 g/mol
XLogP3
8.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
429.761 Da
Monoisotopic Mass
425.766 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
323.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
H2006098