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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, 2,6-bis(trifluoromethyl)-

OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F Request for Quotation
Chemical Name: Benzoic acid, 2,6-bis(trifluoromethyl)-
CAS Number: 24821-22-5
Product Number: AG002PJ3(AGN-PC-0JLYRH)
Synonyms:
MDL No:
Molecular Formula: C9H4F6O2
Molecular Weight: 258.1173

Identification/Properties

Properties
MP:
138-140 °C(lit.)
BP:
220℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
258.119g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
258.012g/mol
Monoisotopic Mass:
258.012g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
273
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

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 2,6-Bis(trifluoromethyl)benzoic acid is a versatile compound that finds wide application in chemical synthesis processes. Its unique properties make it a valuable tool for chemists working in various fields. This compound serves as a key building block for the preparation of a diverse range of organic molecules due to its reactivity and structural characteristics.In chemical synthesis, 2,6-Bis(trifluoromethyl)benzoic acid is commonly used as a starting material for the synthesis of pharmaceuticals, agrochemicals, and materials with specific properties. Its trifluoromethyl groups provide steric hindrance and electronic effects that can significantly influence the reactivity and properties of the resulting compounds. Additionally, the benzoic acid functionality offers a versatile site for further derivatization through various chemical transformations.This compound can be employed in the synthesis of complex molecules through reactions such as nucleophilic substitution, esterification, amidation, and Suzuki coupling. Its presence in the molecular structure can enhance the bioavailability, metabolic stability, and physicochemical properties of the final products. Chemists utilize 2,6-Bis(trifluoromethyl)benzoic acid as a strategic building block to introduce specific functionalities and structural motifs into target molecules, thereby enabling the efficient and precise synthesis of desired compounds.