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PCB No 3 - analytical standard, high purity , CAS No.2051-62-9

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PCB No 3 - analytical standard, high purity , CAS No.2051-62-9

7 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 2051-62-9
Molecular Weight: 188.65
Beilstein Registry Number: 774966
EC Number: 218-127-7
MDL number: MFCD00013640
PubChem CID: 16323

In stock

Item Number

P115131

Grouped product items
SKU	Size	Availability	Price	Qty
P115131-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
P115131-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90

Basic Description

Synonyms	1-chloranyl-4-phenyl-benzene \| BDBM50159271 \| CAS-2051-62-9 \| NSC 37066 \| 4-Chlorbiphenyl \| CCRIS 9311 \| FT-0617970 \| PCB No. 3 \| PS-8431 \| 4-Chlorodiphenyl \| ClC1=CC=C(C2=CC=CC=C2)C=C1 \| A814632 \| 4-CHLOROBIPHENYL \| 4-Chloro-Biphenyl \| NCGC00356978-01 \|
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorinated biphenyls
Alternative Parents	Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated 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 chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors	monochlorobiphenyl
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(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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-chloro-4-phenylbenzene
INCHI	InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey	FPWNLURCHDRMHC-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
Isomeric SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
UN Number	3432
Packing Group	II
Molecular Weight	188.65
Beilstein	774966
Reaxy-Rn	774966
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774966&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.

3 results found

Lot Number	Certificate Type	Date	Item
D2529213	Certificate of Analysis	Apr 30, 2025	P115131
E1725030	Certificate of Analysis	Nov 14, 2022	P115131
F2210338	Certificate of Analysis	Jun 15, 2022	P115131

Chemical and Physical Properties

Boil Point(°C)	291°C
Melt Point(°C)	77.7°C
Molecular Weight	188.650 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	188.039 Da
Monoisotopic Mass	188.039 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141.000
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

Alternative Products

Citations of This Product

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