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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)-

Benzoic acid, 3-bromo-5-(trifluoromethyl)-, methyl ester

COC(=O)c1cc(Br)cc(c1)C(F)(F)F Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-5-(trifluoromethyl)-, methyl ester
CAS Number: 187331-46-0
Product Number: AG00AMQ0(AGN-PC-022XD6)
Synonyms:
MDL No:
Molecular Formula: C9H6BrF3O2
Molecular Weight: 283.0419

Identification/Properties

Computed Properties
Molecular Weight:
283.044g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
281.95g/mol
Monoisotopic Mass:
281.95g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
242
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-bromo-5-(trifluoromethyl)benzoate is a versatile compound primarily used in chemical synthesis as a key building block for the production of various pharmaceuticals, agrochemicals, and materials. This compound exhibits unique reactivity due to the presence of the bromo and trifluoromethyl functional groups, enabling it to participate in a range of organic transformations.In chemical synthesis, Methyl 3-bromo-5-(trifluoromethyl)benzoate serves as a valuable precursor for the introduction of the bromo and trifluoromethyl moieties into target molecules. Its strategic placement within a molecular structure allows for further elaboration through cross-coupling reactions, nucleophilic substitutions, and other synthetic methodologies. This compound's structural features make it particularly attractive for the modification of biologically active compounds and the development of new pharmaceutical candidates.Moreover, Methyl 3-bromo-5-(trifluoromethyl)benzoate can also act as a useful intermediate in the synthesis of complex organic compounds, including natural products and functional materials. Its presence in a synthetic route can facilitate efficient access to diverse molecular architectures with enhanced physicochemical properties.Overall, the application of Methyl 3-bromo-5-(trifluoromethyl)benzoate in chemical synthesis enables researchers to access novel compounds with tailored functionalities, making it a valuable tool in the field of organic chemistry.