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3,3',4,4',5,5'-Hexachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.32774-16-6

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3,3',4,4',5,5'-Hexachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.32774-16-6

1 Citations

COA

Grade & Purity:

100 ug/mL in Isooctane

Cas Number: 32774-16-6
Molecular Weight: 360.88
PubChem CID: 36231

In stock

Item Number

H128995

Grouped product items
SKU	Size	Availability	Price	Qty
H128995-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$162.90

Basic Description

Synonyms	3,3',4,4',5,5'-Hexachlorobiphenyl \| 32774-16-6 \| PCB 169 \| 3,4,5,3',4',5'-HEXACHLOROBIPHENYL \| HSDB 3948 \| 3,3',4,4',5,5'-Hexachloro-1,1'-biphenyl \| 1336-36-3 \| Biphenyl, 3,3',4,4',5,5'-hexachloro- \| 1,1'-Biphenyl, 3,3',4,4',5,5'-hexachloro- \| UNII-T2P1WH546D \| BRN 1990183 \| T
Specifications & Purity	100 ug/mL in Isooctane
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Chlorinated biphenyls
        Level6 Polychlorinated biphenyls

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	Non-ortho (coplanar) PCBs
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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	1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene
INCHI	InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
InChIKey	ZHLICBPIXDOFFG-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
Isomeric SMILES	C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
UN Number	1261
Packing Group	II
Molecular Weight	360.88
Reaxy-Rn	1990183
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990183&ln=

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.

1 results found

Lot Number	Certificate Type	Date	Item
I2016564	Certificate of Analysis	Jul 16, 2024	H128995

Chemical and Physical Properties

Molecular Weight	360.900 g/mol
XLogP3	7.400
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 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	234.000
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

How to Cite Aladdin Scientific Products?

1. 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).

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