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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)-

2-BROMO-4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID

OB(c1ccc(cc1Br)C(F)(F)F)O Request for Quotation
Chemical Name: 2-BROMO-4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
CAS Number: 959997-88-7
Product Number: AG003BLR(AGN-PC-0786O0)
Synonyms:
MDL No:
Molecular Formula: C7H5BBrF3O2
Molecular Weight: 268.8236

Identification/Properties

Properties
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
268.824g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.952g/mol
Monoisotopic Mass:
267.952g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
200
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


The (2-Bromo-4-(trifluoromethyl)phenyl)boronic acid is an essential reagent widely used in chemical synthesis for its unique properties. This compound serves as a versatile building block in the preparation of various organic molecules through Suzuki-Miyaura coupling reactions. It can efficiently participate in cross-coupling reactions with aryl halides, enabling the construction of carbon-carbon bonds in a controlled and selective manner. The presence of the boronic acid group facilitates the formation of stable complexes with transition metal catalysts, enhancing the overall efficiency of the coupling process. Additionally, the incorporation of a trifluoromethyl group in the phenyl ring offers the potential for introducing fluorinated motifs into target molecules, imparting valuable physicochemical properties. Overall, the (2-Bromo-4-(trifluoromethyl)phenyl)boronic acid represents a valuable tool in the toolbox of organic chemists for the synthesis of diverse and complex molecules.