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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)-

methyl 2-bromo-4-(trifluoromethyl)benzoate

COC(=O)c1ccc(cc1Br)C(F)(F)F Request for Quotation
Chemical Name: methyl 2-bromo-4-(trifluoromethyl)benzoate
CAS Number: 1214334-90-3
Product Number: AG0014SU(AGN-PC-07QVAQ)
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 2-bromo-4-(trifluoromethyl)benzoate is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to participate in a range of important chemical reactions.One of the notable applications of Methyl 2-bromo-4-(trifluoromethyl)benzoate is in the synthesis of biologically active compounds. Its presence in the molecular structure imparts desirable pharmacological properties, making it a valuable intermediate in the development of new drug candidates. Additionally, this compound is often employed in the preparation of insecticides, herbicides, and fungicides, where its trifluoromethyl and bromo functionalities play a crucial role in enhancing the biological activity of the final products.Furthermore, Methyl 2-bromo-4-(trifluoromethyl)benzoate is a favored reagent in organic synthesis for constructing complex molecular frameworks. Its versatile reactivity allows for the introduction of functional groups at specific positions within a molecule, enabling chemists to design and synthesize novel compounds with tailored properties. This compound is particularly valuable in the production of fine chemicals and advanced materials where precise control over chemical transformations is crucial for achieving the desired product.Overall, the use of Methyl 2-bromo-4-(trifluoromethyl)benzoate in chemical synthesis underscores its significance as a versatile building block with broad implications in the fields of pharmaceuticals, agrochemicals, and materials science.