Description

2-Methyl-5-(trifluoromethoxy)benzoic acid (CAS No. 195622-41-4) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₉H₇F₃O₃. This compound features a trifluoromethoxy group at the 5-position and a methyl group at the 2-position of the benzoic acid scaffold, offering unique electronic and steric properties for advanced synthetic applications. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ideal for pharmaceutical intermediates, agrochemical research, and material science. The product is rigorously tested for identity (FTIR, NMR), residual solvents (GC), and heavy metals (ICP-MS), ensuring compliance with USP/EP standards. Packaged under inert gas in amber glass vials with PTFE-lined caps to prevent moisture absorption and degradation.

Properties

• CAS Number: 195622-41-4
• Complexity: 239
• IUPAC Name: 2-methyl-5-(trifluoromethoxy)benzoic acid
• InChI: InChI=1S/C9H7F3O3/c1-5-2-3-6(15-9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H,13,14)
• InChI Key: IBHIJPBIQCIAES-UHFFFAOYSA-N
• Exact Mass: 220.03472857
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.14
• SMILES: CC1=C(C=C(C=C1)OC(F)(F)F)C(=O)O
• Topological: 46.5
• Monoisotopic Mass: 220.03472857
• Synonyms: 2-Methyl-5-(trifluoromethoxy)benzoic acid, 195622-41-4, SCHEMBL2326026, DTXSID801269190, MFCD18399742, AKOS025402882, 2-Methyl-5-(trifluoromethoxy)benzoicacid, PS-11268, DB-303544, CS-0324064

Application

This fluorinated benzoic acid derivative serves as a key building block in the synthesis of bioactive molecules, particularly in the development of trifluoromethoxy-containing pharmaceuticals with enhanced metabolic stability. It is widely used in crop protection research for creating novel herbicides and fungicides that leverage the electron-withdrawing properties of the trifluoromethoxy group. The compound also finds utility in liquid crystal material design, where its rigid aromatic core and fluorine content modulate dielectric anisotropy.

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