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2,3',4,4',5-Pentachlorobiphenyl Standard Solution - 100 μg/mL in n-hexane, high purity , CAS No.31508-00-6

    Grade & Purity:
  • 100 μg/mL in n-hexane
In stock
Item Number
P399192
Grouped product items
SKU Size
Availability
Price Qty
P399192-1.2ml
1.2ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$212.90
View related series
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Basic Description

Synonyms 31508-00-6 | 2,3',4,4',5-PENTACHLOROBIPHENYL | PCB118 | PCB 118 | 1,1'-Biphenyl, 2,3',4,4',5-pentachloro- | PCB No 118 | 3,4,2',4',5'-Pentachlorobiphenyl | PCB-118 | Biphenyl, 2,3',4,4',5-pentachloro- | 2,3',4,4',5-Pentachloro-1,1'-biphenyl | UNII-2B2AQE8U50 | 1,2,4-trichloro-
Specifications & Purity 100 μg/mL in n-hexane
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

Taxonomy Tree

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 Dichlorobenzenes  Aryl chlorides  Organochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Polychlorinated biphenyl - 1,2-dichlorobenzene - 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 Mono-ortho PCBs

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

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-(3,4-dichlorophenyl)benzene
INCHI InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
InChIKey IUTPYMGCWINGEY-UHFFFAOYSA-N
Smiles C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
Isomeric SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
PubChem CID 35823
Molecular Weight 326.4

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
K2125215 Certificate of Analysis Aug 21, 2023 P399192
K2115412 Certificate of Analysis Aug 08, 2023 P399192

Chemical and Physical Properties

Molecular Weight 326.400 g/mol
XLogP3 7.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 325.88 Da
Monoisotopic Mass 323.883 Da
Topological Polar Surface Area 0.000 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 259.000
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. 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). 
2. Hangjun Zhang, Xiaojun Jiang, Liping Lu, Wenfeng Xiao.  (2015)  Biodegradation of polychlorinated biphenyls (PCBs) by the novel identified cyanobacterium Anabaena PD-1.  PLoS One,  10  (7): (e0131450). 

Solution Calculators

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