3-Quinolinecarbonitrile, 2-chloro-4-methyl-


Chemical Name: 3-Quinolinecarbonitrile, 2-chloro-4-methyl-
CAS Number: 101617-94-1
Product Number: AG0004ZC(AGN-PC-0KLB3O)
Synonyms:
MDL No:
Molecular Formula: C11H7ClN2
Molecular Weight: 202.6397

Identification/Properties


Computed Properties
Molecular Weight:
202.641g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
202.03g/mol
Monoisotopic Mass:
202.03g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
257
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Chloro-4-methylquinoline-3-carbonitrile is a versatile compound that finds widespread application in chemical synthesis processes. This compound serves as a key building block in the development of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it a valuable intermediate in the synthesis of complex molecules, particularly those containing quinoline or cyano groups. The presence of the chloro and methyl substituents on the quinoline ring imparts specific properties and allows for further derivatization to tailor the compound for specific applications.In chemical synthesis, 2-Chloro-4-methylquinoline-3-carbonitrile can participate in various reactions such as nucleophilic substitution, condensation, and coupling reactions, enabling the creation of diverse chemical structures. Its application extends to the preparation of bioactive compounds, dyes, and materials with advanced functionalities.Furthermore, the presence of the carbonitrile group in this compound offers opportunities for further functionalization through reactions such as hydrolysis, reduction, and cross-coupling, expanding the scope of synthetic possibilities. Overall, the strategic incorporation of 2-Chloro-4-methylquinoline-3-carbonitrile in chemical synthesis pathways enables the efficient and controlled assembly of complex molecules with desired properties and functionalities.