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2,2'3,5',6-Pentachlorobiphenyl - 100 ug/mL in Isooctane, high purity , CAS No.38379-99-6

COA

Grade & Purity:

100 ug/mL in Isooctane

Cas Number: 38379-99-6
Molecular Weight: 326.43
PubChem CID: 38012

In stock

Item Number

P128856

Grouped product items
SKU	Size	Availability	Price	Qty
P128856-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90

Basic Description

Synonyms	2,2',3,5',6-PENTACHLOROBIPHENYL \| 38379-99-6 \| Pcb-95 \| Pcb 95 \| 1,1'-Biphenyl, 2,2',3,5',6-pentachloro- \| UNII-0YO8J06WCR \| 0YO8J06WCR \| 1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene \| 2,2',3,5',6-Pentachloro-1,1'-biphenyl \| DTXSID3038301 \| 2,3,6,2',5'-Pentachlorobiphenyl \| P
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	Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Polychlorinated biphenyl - 1,4-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	Not available
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

Names and Identifiers

IUPAC Name	1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene
INCHI	InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H
InChIKey	GXNNLIMMEXHBKV-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl
Isomeric SMILES	C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl
Molecular Weight	326.43
Reaxy-Rn	2467930
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2467930&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
A1508062	Certificate of Analysis	Oct 24, 2022	P128856
L1811179	Certificate of Analysis	Sep 20, 2022	P128856
F2218257	Certificate of Analysis	Jun 05, 2022	P128856
E1823161	Certificate of Analysis	Apr 11, 2022	P128856

Chemical and Physical Properties

Molecular Weight	326.400 g/mol
XLogP3	6.500
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 Å²
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

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