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Atomfair 2,4,5-Trifluoro-3-methylbenzoic acid C8H5F3O2 CAS 112822-85-2

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…

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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.

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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