28314-80-9 | 2,4,6-Trifluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$8.00	$5.00
5g	95%	in stock	$12.00	$9.00
25g	95%	in stock	$28.00	$19.00

Description

• Catalog Number: AB43605
• Chemical Name: 2,4,6-Trifluorobenzoic acid
• CAS Number: 28314-80-9
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.0927
• MDL Number: MFCD00042398
• SMILES: OC(=O)c1c(F)cc(cc1F)F

Computed Properties

• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.7

Upstream Synthesis Route

2,4,6-Trifluorobenzoic Acid, also known as TFBA, is a versatile chemical compound widely utilized in chemical synthesis. Its unique structure and properties make it a valuable building block in the creation of various organic compounds. In chemical synthesis, TFBA serves as a crucial intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals.One key application of 2,4,6-Trifluorobenzoic Acid is in the synthesis of fluorinated organic molecules. The presence of fluorine atoms in its structure imparts desirable properties to the compounds derived from TFBA, such as increased chemical stability, lipophilicity, and bioavailability. This makes it an essential component in the development of fluorinated drugs, pesticides, and materials.Furthermore, TFBA is commonly used as a starting material for the preparation of highly functionalized aromatic compounds. Through various chemical transformations, researchers can introduce different functional groups onto the benzene ring of TFBA, enabling the synthesis of a wide range of complex molecules with tailored properties.In summary, 2,4,6-Trifluorobenzoic Acid plays a vital role in chemical synthesis by serving as a versatile building block for the construction of fluorinated organic compounds and highly functionalized aromatic molecules. Its applications extend to diverse sectors, including pharmaceuticals, agrochemicals, and materials science, where the unique properties conferred by fluorine atoms are highly sought after.

Literature

• Method for estimating S(N)1 rate constants: solvolytic reactivity of benzoates.

  The Journal of organic chemistry 20121019

• 2,4,6-Trifluoro-benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20110201

• Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

  Dalton transactions (Cambridge, England : 2003) 20110121