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2-Chloro-3-cyanopyridine-4-boronic acid pinacol ester - 95%, high purity , CAS No.878194-94-6

COA

Grade & Purity:

≥95%

Cas Number: 878194-94-6
Molecular Weight: 264.5
PubChem CID: 44755174

In stock

Item Number

C187559

Grouped product items
SKU	Size	Availability	Price	Qty
C187559-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
C187559-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90

Discover 2-Chloro-3-cyanopyridine-4-boronic acid pinacol ester by Aladdin Scientific in 95% for only $109.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID80660621 \| AKOS015950215 \| 2-Chloro-3-cyanopyridine-4-boronicacidpinacolester \| 2-Chloro-3-cyano-4-pyridinylboronic acid pinacol ester, 95% \| 2-Chloro-3-cyano-4-pyridinylboronic acid pinacol ester \| AS-48800 \| MFCD09037479 \| 2-chloro-4-(4,4,5,5-tetr
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	2-halopyridines Aryl chlorides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Azacyclic compounds Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - 2-halopyridine - Aryl chloride - Aryl halide - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic metalloid salt - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
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	2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
INCHI	InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-16-10(14)8(9)7-15/h5-6H,1-4H3
InChIKey	YYPZHORJYDCOSQ-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)C#N
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)C#N
WGK Germany	2
Molecular Weight	264.5
Reaxy-Rn	10547478
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10547478&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	264.520 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	264.084 Da
Monoisotopic Mass	264.084 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	364.000
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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