455-24-3 | 4-(Trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$8.00	$5.00
25g	98%	in stock	$9.00	$6.00
100g	98%	in stock	$22.00	$15.00
500g	98%	in stock	$78.00	$54.00

Description

• Catalog Number: AB66107
• Chemical Name: 4-(Trifluoromethyl)benzoic acid
• CAS Number: 455-24-3
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.11930959999995
• MDL Number: MFCD00002562
• SMILES: OC(=O)c1ccc(cc1)C(F)(F)F
• NSC Number: 88327

Computed Properties

• Complexity: 192
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.1

Upstream Synthesis Route

4-(Trifluoromethyl)benzoic acid is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. With its trifluoromethyl group, this compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and materials.In organic synthesis, 4-(Trifluoromethyl)benzoic acid can be utilized as a precursor for the introduction of the trifluoromethyl moiety into organic molecules. This allows for the modification of properties such as lipophilicity, metabolic stability, and bioavailability in drug design. Additionally, the presence of the trifluoromethyl group can enhance the biological activity of compounds, making it a valuable tool in medicinal chemistry.Furthermore, 4-(Trifluoromethyl)benzoic acid can be employed in the preparation of advanced materials and functionalized molecules. Its reactivity enables the formation of new carbon-carbon and carbon-heteroatom bonds, facilitating the synthesis of complex and diverse chemical entities.Overall, the application of 4-(Trifluoromethyl)benzoic acid in chemical synthesis offers a wide range of opportunities for the development of novel compounds with tailored properties and functionalities.

Literature

• Antifungal Activity of Salicylanilides and Their Esters with 4-(Trifluoromethyl)benzoic Acid.

  Molecules (Basel, Switzerland) 20120807

• High resolution magic angle spinning NMR to investigate ligand-receptor binding events for mass-limited samples in liquids.

  Journal of pharmaceutical and biomedical analysis 20120205

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

  Viruses 20101101

• Coordination-Polymeric Nanofibers and their Field-Emission Properties.

  Macromolecular rapid communications 20090803

• Triphenyl-bis[4-(trifluoro-meth-yl)benzoato-κO]anti-mony(V).

  Acta crystallographica. Section E, Structure reports online 20090601

• Total synthesis of the C-1027 chromophore core: extremely facile enediyne formation through Sml2-mediated 1,2-elimination.

  Angewandte Chemie (International ed. in English) 20080101