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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)-

Benzenepropanoic acid, 2-(trifluoromethyl)-

OC(=O)CCc1ccccc1C(F)(F)F Request for Quotation
Chemical Name: Benzenepropanoic acid, 2-(trifluoromethyl)-
CAS Number: 94022-99-8
Product Number: AG0033K9(AGN-PC-00OQ81)
Synonyms:
MDL No: MFCD06823965
Molecular Formula: C10H9F3O2
Molecular Weight: 218.1725

Identification/Properties

Properties
MP:
84-88 °C
BP:
266.9 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
218.175g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
218.055g/mol
Monoisotopic Mass:
218.055g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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


3-[2-(Trifluoromethyl)Phenyl]Propionic Acid is a versatile compound widely used in chemical synthesis for its unique properties. This compound acts as a key building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group confers increased stability and lipophilicity to the molecule, making it beneficial for manipulating reactivity and enhancing selectivity in synthetic processes.In chemical synthesis, 3-[2-(Trifluoromethyl)Phenyl]Propionic Acid serves as a valuable starting material for the creation of diverse structures through derivatization and functionalization. Its presence can significantly influence the physicochemical properties of the final products, leading to compounds with improved bioavailability, metabolic stability, and efficacy. Additionally, this compound can participate in various organic transformations, including cross-coupling reactions, nucleophilic substitutions, and asymmetric synthesis, thereby enabling the synthesis of complex molecules with high efficiency.Furthermore, the incorporation of 3-[2-(Trifluoromethyl)Phenyl]Propionic Acid into synthetic pathways can facilitate the introduction of the trifluoromethyl moiety into target molecules, offering opportunities to modulate their biological activities or physicochemical characteristics. Its role as a synthetic intermediate underscores its significance in the development of novel compounds with potential applications in medicinal chemistry, crop protection, and material science.