Description

4-(4-(Trifluoromethyl)phenoxy)benzoic acid (CAS No. 78161-82-7) is a high-purity organic compound with the molecular formula C₁₄H₉F₃O₃. This trifluoromethyl-substituted benzoic acid derivative is a valuable building block in pharmaceutical, agrochemical, and materials science research. The compound features a benzoic acid core linked to a trifluoromethylphenoxy group, offering unique electronic and steric properties for structure-activity studies. Our product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ideal for coupling reactions, ligand synthesis, and medicinal chemistry applications. The trifluoromethyl group enhances lipophilicity and metabolic stability, making this compound particularly useful for drug discovery programs. Suitable for use under standard laboratory conditions, this chemical is packaged under inert atmosphere to ensure stability and longevity.

Properties

• CAS Number: 78161-82-7
• Complexity: 327
• IUPAC Name: 4-[4-(trifluoromethyl)phenoxy]benzoic acid
• InChI: InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H,18,19)
• InChI Key: REDYCJOUKXVWEZ-UHFFFAOYSA-N
• Exact Mass: 282.05037863
• Molecular Formula: C14H9F3O3
• Molecular Weight: 282.21
• SMILES: C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(F)(F)F
• Topological: 46.5
• Monoisotopic Mass: 282.05037863
• Synonyms: 78161-82-7, 4-(4-(Trifluoromethyl)phenoxy)benzoic acid, 4-[4-(trifluoromethyl)phenoxy]benzoic Acid, F2197-0021, Benzoic acid, 4-[4-(trifluoromethyl)phenoxy]-, MFCD03840158, 4-(4-(Trifluoromethyl)phenoxy)benzoicacid, 4-(4-Trifluoromethyl-phenoxy)-benzoic acid, SCHEMBL1452722, DTXSID20394897, SMSSF-0533804, AR1904, AKOS011515037, AS-45235, 4-(4-Trifluoromethyl-phenoxy)benzoic acid, p-[p-(trifluoromethyl)phenoxy]benzoic acid, DB-295060, CS-0035462, EN300-234945

Application

This compound serves as a key intermediate in the synthesis of liquid crystal materials due to its rigid aromatic structure and polar carboxylic acid functionality. Researchers utilize it in pharmaceutical development as a scaffold for creating potential kinase inhibitors and anti-inflammatory agents. The trifluoromethylphenoxy moiety makes it valuable for studying structure-activity relationships in agrochemicals, particularly herbicides and fungicides.

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