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PCB No 2 - analytical standard, high purity , CAS No.2051-61-8

3 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 2051-61-8
Molecular Weight: 188.65
Beilstein Registry Number: 1863135
EC Number: 218-126-1
MDL number: MFCD00013633
PubChem CID: 16322

In stock

Item Number

P115130

Grouped product items
SKU	Size	Availability	Price	Qty
P115130-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$172.90

View related series

Biphenyls (37)

Basic Description

Synonyms	1,1'-Biphenyl,3-chloro- \| 3-Chloro[1,1'-biphenyl] \| 3-monochloro-1,1'-biphenyl \| 3-Chlorbiphenyl \| CAA05161 \| MFCD00013633 \| WLQ4633SJY \| 1,1'-Biphenyl, 3-monochloro- \| 3-Chlorodiphenyl \| PCB No 2, analytical standard \| 1-chloranyl-3-phenyl-benzene \| DTXC
Specifications & Purity	analytical standard
Storage Temp	Room temperature
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

Names and Identifiers

IUPAC Name	1-chloro-3-phenylbenzene
INCHI	InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey	NMWSKOLWZZWHPL-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
Isomeric SMILES	C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
WGK Germany	3
RTECS	DV2072000
UN Number	3432
Molecular Weight	188.65
Beilstein	1863135
Reaxy-Rn	1863135
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863135&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
F2519569	Certificate of Analysis	Feb 19, 2025	P115130
F2519589	Certificate of Analysis	Feb 19, 2025	P115130
I2124472	Certificate of Analysis	Jun 16, 2023	P115130

Chemical and Physical Properties

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	149.000
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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