2-([1,1'-biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine


Chemical Name: 2-([1,1'-biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine
CAS Number: 1472062-94-4
Product Number: AG001EPA(AGN-PC-0WAIWM)
Synonyms:
MDL No:
Molecular Formula: C21H14ClN3
Molecular Weight: 343.8090

Identification/Properties


Computed Properties
Molecular Weight:
343.814g/mol
XLogP3:
5.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
343.088g/mol
Monoisotopic Mass:
343.088g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
398
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine is a versatile compound that finds utility in chemical synthesis due to its unique structural properties. This specific molecule serves as a valuable building block in the creation of complex organic compounds, especially in the field of medicinal chemistry. The presence of the triazine ring coupled with the biphenyl and phenyl moieties imparts this molecule with reactivity that can be harnessed in the development of new pharmaceutical agents.In chemical synthesis, this compound can act as a key intermediate in the preparation of biologically active molecules and functional materials. Its strategic placement of chloro and phenyl groups allows for further derivatization through various chemical reactions like nucleophilic substitution or palladium-catalyzed coupling reactions. The biphenyl backbone provides rigidity and geometric orientation, which can influence the overall shape and properties of the final synthesized molecule.Overall, the incorporation of 2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine in chemical synthesis enables the construction of diverse chemical entities with potential applications in drug discovery, materials science, and other specialized areas of organic chemistry.