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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, 4-(trifluoromethyl)-, methyl ester

COC(=O)c1ccc(cc1)C(F)(F)F Request for Quotation
Chemical Name: Benzoic acid, 4-(trifluoromethyl)-, methyl ester
CAS Number: 2967-66-0
Product Number: AG002Z1N(AGN-PC-0JS9HL)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties

Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
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 4-(trifluoromethyl)benzoate is a versatile compound widely utilized in chemical synthesis as a key building block for the creation of diverse organic molecules. Its trifluoromethyl group imparts unique properties, making it an essential component in the development of pharmaceuticals, agrochemicals, and materials. This compound serves as a valuable intermediate in the synthesis of various complex organic compounds due to its ability to undergo different chemical reactions, such as nucleophilic substitution, Grignard reactions, and cross-coupling reactions. Additionally, Methyl 4-(trifluoromethyl)benzoate plays a crucial role in the modification of natural products and in the discovery of novel bioactive molecules with enhanced properties. Its compatibility with a wide range of synthetic methodologies makes it an invaluable tool for chemists working in medicinal chemistry, material science, and other research areas.