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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, 2-methyl-5-(trifluoromethyl)-

OC(=O)c1cc(ccc1C)C(F)(F)F Request for Quotation
Chemical Name: Benzoic acid, 2-methyl-5-(trifluoromethyl)-
CAS Number: 13055-63-5
Product Number: AG000UMS(AGN-PC-0KKWYG)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties

Properties
MP:
123-125 °C
BP:
261°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
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


2-Methyl-5-(trifluoromethyl)benzoic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis as a key building block. Its unique structure containing both a methyl group and a trifluoromethyl group imparts specific reactivity and functionality, making it highly valuable in various synthetic routes.One of the key applications of 2-Methyl-5-(trifluoromethyl)benzoic acid is in the synthesis of pharmaceutical compounds. Its presence in the molecular structure of certain drug candidates can significantly enhance their pharmacological properties, including bioavailability, metabolic stability, and overall potency.Furthermore, this compound is frequently employed in the preparation of specialty chemicals and agrochemicals. Its ability to serve as a precursor for diverse functional groups allows for the efficient synthesis of complex molecules with tailored properties for specific industrial applications.Overall, the use of 2-Methyl-5-(trifluoromethyl)benzoic acid in chemical synthesis enables chemists to access a wide range of functionalized derivatives that play a crucial role in the development of novel materials, pharmaceuticals, and agrochemicals.