61079-72-9 | 2,3,4-Trifluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	98%	in stock	$8.00	$5.00
10g	98%	in stock	$15.00	$10.00
25g	98%	in stock	$25.00	$17.00
100g	98%	in stock	$63.00	$45.00

Description

• Catalog Number: AB43554
• Chemical Name: 2,3,4-Trifluorobenzoic acid
• CAS Number: 61079-72-9
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.0927
• MDL Number: MFCD00061232
• SMILES: OC(=O)c1ccc(c(c1F)F)F
• NSC Number: 190684

Computed Properties

• Complexity: 186
• 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

2,3,4-Trifluorobenzoic Acid, a versatile chemical compound, finds significant application in chemical synthesis as a key building block in the creation of a wide range of organic molecules. With its trifluoromethyl group, this compound imparts unique and valuable properties to the synthesized products. In organic synthesis, 2,3,4-Trifluorobenzoic Acid serves as a crucial intermediate in the formation of various pharmaceuticals, agrochemicals, and advanced materials. Its trifluoromethyl moiety can introduce lipophilicity and alter the biological activity of the final compounds, making it particularly valuable in drug discovery and development processes. Furthermore, the presence of the trifluoromethyl group in 2,3,4-Trifluorobenzoic Acid enhances the stability and electron density of the molecules it is incorporated into, leading to improved performance in certain chemical reactions. This compound also plays a vital role in the construction of complex organic frameworks due to its versatility and reactivity in various synthetic pathways. Overall, 2,3,4-Trifluorobenzoic Acid is a valuable tool in the hands of chemists engaged in organic synthesis, enabling the creation of diverse and innovative chemical structures with enhanced properties and functionalities.

Literature

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

  Dalton transactions (Cambridge, England : 2003) 20110121

• Development of ST-246® for Treatment of Poxvirus Infections.

  Viruses 20101101

• Experimental and calculation aspects of vibrational spectra and optimized geometry of 2,3,4-tri-fluoro-benzoic acid dimer.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201

• The fluorinated and chlorinated nuclear localization sequence of the SV 40 T antigen.

  Chemical biology & drug design 20090101

• Analysing fluorobenzoate tracers in groundwater samples using liquid chromatography-tandem mass spectrometry. A tool for leaching studies and hydrology.

  Journal of chromatography. A 20020524