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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-hydroxy-3-(trifluoromethyl)-

OC(=O)c1ccc(c(c1)C(F)(F)F)O Request for Quotation
Chemical Name: Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-
CAS Number: 220239-68-9
Product Number: AG007Q6H(AGN-PC-0KKWMX)
Synonyms:
MDL No:
Molecular Formula: C8H5F3O3
Molecular Weight: 206.1187

Identification/Properties

Computed Properties
Molecular Weight:
206.12g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
206.019g/mol
Monoisotopic Mass:
206.019g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
226
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


4-Hydroxy-3-(trifluoromethyl)benzoic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. Due to its unique structure containing a hydroxyl group and a trifluoromethyl group, this compound serves as a crucial building block in the production of pharmaceuticals, agrochemicals, and advanced materials.In chemical synthesis, $name$ is utilized as a key intermediate for the creation of various organic molecules. Its hydroxyl group allows for functionalization reactions, enabling the attachment of different chemical groups to the molecule. The trifluoromethyl group, on the other hand, imparts beneficial properties such as increased lipophilicity and metabolic stability to the final products.One primary application of 4-Hydroxy-3-(trifluoromethyl)benzoic acid is in the synthesis of pharmaceutical compounds. By incorporating this compound into the molecular structure of drug candidates, chemists can enhance the bioavailability and pharmacokinetic profiles of the resulting medications. Additionally, the trifluoromethyl group can influence the drug-receptor interactions, potentially enhancing the therapeutic effects.In the field of agrochemicals, $name$ plays a critical role in designing pesticide and herbicide molecules with improved efficiency and selectivity. The unique properties conferred by the trifluoromethyl group enable the development of potent crop protection products that exhibit enhanced performance and lower environmental impact.Furthermore, in the realm of materials science, 4-Hydroxy-3-(trifluoromethyl)benzoic acid is employed in the synthesis of specialty polymers and functional materials. By incorporating this compound into the polymer backbone, researchers can tailor the physical and chemical properties of the material, resulting in enhanced performance characteristics for various industrial applications.