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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Boronic acid, B-(3-cyano-2-fluorophenyl)-

N#Cc1cccc(c1F)B(O)O Request for Quotation
Chemical Name: Boronic acid, B-(3-cyano-2-fluorophenyl)-
CAS Number: 957121-05-0
Product Number: AG00IJE8(AGN-PC-078TE5)
Synonyms:
MDL No:
Molecular Formula: C7H5BFNO2
Molecular Weight: 164.9295

Identification/Properties

Computed Properties
Molecular Weight:
164.93g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
165.04g/mol
Monoisotopic Mass:
165.04g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


(3-Cyano-2-fluorophenyl)boronic acid is a versatile reagent commonly used in chemical synthesis for Suzuki-Miyaura cross-coupling reactions. This compound acts as a boronic acid derivative, incorporating both a cyano and fluorine functional group on the phenyl ring. The presence of the cyano group allows for facile transformation into various other functional groups through different chemical reactions, providing a valuable scaffold for building complex organic molecules.In the context of chemical synthesis, (3-Cyano-2-fluorophenyl)boronic acid serves as a key component in the formation of carbon-carbon bonds between an aryl halide substrate and an organoboron compound. This reaction, catalyzed by palladium, enables the selective construction of biaryl structures, which are prevalent motifs in pharmaceuticals, agrochemicals, and materials science.Additionally, the unique properties of (3-Cyano-2-fluorophenyl)boronic acid make it a valuable tool in medicinal chemistry and materials research. Its ability to participate in diverse transformations under mild conditions, along with its stability and compatibility with a range of reaction conditions, makes it an attractive candidate for the synthesis of biologically active compounds and functional materials.Overall, (3-Cyano-2-fluorophenyl)boronic acid plays a crucial role in the development of novel molecules with applications across various scientific disciplines, making it an indispensable reagent for chemists involved in organic synthesis and chemical research.