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2-Chloro-4-phenylnicotinonitrile - 97%, high purity , CAS No.163563-64-2

COA

Grade & Purity:

≥97%

Cas Number: 163563-64-2
Molecular Weight: 214.7
PubChem CID: 2764384
PubChem SID: 504761763

In stock

Item Number

C181910

Grouped product items
SKU	Size	Availability	Price
C181910-250mg	250mg	4	$84.90
C181910-1g	1g	3	$234.90
C181910-5g	5g	2	$767.90

Basic Description

Synonyms	2-chloro-4-phenylnicotinonitrile \| 163563-64-2 \| 2-chloro-4-phenylpyridine-3-carbonitrile \| MFCD01935958 \| 3-Pyridinecarbonitrile, 2-chloro-4-phenyl- \| SCHEMBL16681058 \| DTXSID80377424 \| GYTQTBOCDGGMRW-UHFFFAOYSA-N \| 2-Chloro-3-Cyano-4-Phenylpyridine \| CL0072 \| AKOS005071430
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	3-pyridinecarbonitriles 2-halopyridines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylpyridine - 3-pyridinecarbonitrile - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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

Pubchem Sid	504761763
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761763
IUPAC Name	2-chloro-4-phenylpyridine-3-carbonitrile
INCHI	InChI=1S/C12H7ClN2/c13-12-11(8-14)10(6-7-15-12)9-4-2-1-3-5-9/h1-7H
InChIKey	GYTQTBOCDGGMRW-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=C(C(=NC=C2)Cl)C#N
Isomeric SMILES	C1=CC=C(C=C1)C2=C(C(=NC=C2)Cl)C#N
Molecular Weight	214.7
Reaxy-Rn	7203653
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7203653&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D23141362	Certificate of Analysis	Mar 04, 2023	C181910
D23141361	Certificate of Analysis	Mar 04, 2023	C181910
D23141349	Certificate of Analysis	Mar 04, 2023	C181910
D23141344	Certificate of Analysis	Mar 04, 2023	C181910
D23141359	Certificate of Analysis	Mar 04, 2023	C181910
D23141336	Certificate of Analysis	Mar 04, 2023	C181910

Chemical and Physical Properties

Molecular Weight	214.650 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	214.03 Da
Monoisotopic Mass	214.03 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252.000
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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