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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-[4-cyano-3-(trifluoromethyl)phenyl]-

N#Cc1ccc(cc1C(F)(F)F)B(O)O Request for Quotation
Chemical Name: Boronic acid, B-[4-cyano-3-(trifluoromethyl)phenyl]-
CAS Number: 915299-32-0
Product Number: AG003BVI(AGN-PC-09PYWZ)
Synonyms:
MDL No:
Molecular Formula: C8H5BF3NO2
Molecular Weight: 214.9370

Identification/Properties

Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.938g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
215.037g/mol
Monoisotopic Mass:
215.037g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
273
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (4-Cyano-3-(trifluoromethyl)phenyl)boronic acid is a versatile compound widely utilized in chemical synthesis due to its unique properties. In organic chemistry, it serves as a valuable building block for the construction of various organic molecules. One of its key applications is as a precursor for the synthesis of pharmaceuticals, agrochemicals, and materials science compounds.This compound is particularly important in Suzuki-Miyaura cross-coupling reactions. The boronic acid moiety can easily undergo metal-catalyzed coupling with aryl halides or pseudohalides to form carbon-carbon bonds. This reaction is extensively used in the synthesis of biaryls, which are prevalent in various pharmaceutical and natural products.Furthermore, the cyano group present in the molecule can participate in numerous organic transformations, facilitating functional group interconversions and allowing for further elaboration of the molecular structure. Its trifluoromethyl substituent also imparts unique physicochemical properties, making it useful in designing molecules with specific electronic and lipophilic characteristics.Overall, the (4-Cyano-3-(trifluoromethyl)phenyl)boronic acid plays a crucial role in modern organic synthesis, enabling chemists to access a wide array of complex molecules with applications across multiple domains of chemistry.