Description

2,4,5-Trifluoro-3-methylbenzoic acid (CAS No. 112822-85-2) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₅F₃O₂. This compound features a benzoic acid core substituted with three fluorine atoms at the 2, 4, and 5 positions and a methyl group at the 3 position, offering unique electronic and steric properties. It is an essential building block in pharmaceutical, agrochemical, and materials science research, particularly for the synthesis of fluorinated derivatives with enhanced bioactivity or material performance. Available in ≥98% purity (HPLC), this product is rigorously tested for consistency and quality, ensuring optimal results in synthetic applications. Packaged under inert conditions to maintain stability, it is ideal for use in organofluorine chemistry, medicinal chemistry, and advanced material design.

Properties

• CAS Number: 112822-85-2
• Complexity: 210
• IUPAC Name: 2,4,5-trifluoro-3-methyl-benzoic acid
• InChI: InChI=1S/C8H5F3O2/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2H,1H3,(H,12,13)
• InChI Key: CISXRFRLKWCFJS-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: CC1=C(C(=CC(=C1F)F)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 2,4,5-Trifluoro-3-methylbenzoic acid, 112822-85-2, 3-METHYL-2,4,5-TRIFLUOROBENZOIC ACID, 2,4,5-Trifluoro-3-methyl benzoic acid, MFCD04972492, SCHEMBL1408842, DTXSID30473086, CISXRFRLKWCFJS-UHFFFAOYSA-N, BCP30720, AB2999, 2,4,5-Trifluoro-3-methylbenzoicacid, AKOS005256771, AB21123, AC-2356, DS-1339, FM70901, SY008877, DB-041121, CS-0061141, 2,4,5-Trifluoro-3-methylbenzoicacid pound>>Benzoicacid,2,4,5-trifluoro-3-methyl-

Application

2,4,5-Trifluoro-3-methylbenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its trifluoromethyl and carboxyl groups enable precise modulation of compound properties. It serves as a precursor in the development of active ingredients for herbicides, fungicides, and drug candidates, particularly those targeting central nervous system disorders. Researchers also employ this compound in materials science to create fluorinated polymers and liquid crystals with improved thermal and chemical resistance.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.