Description

1,2,3-Trifluoro-5-methylbenzene (CAS No. 284463-96-3) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅F₃. This specialty chemical is characterized by its trifluoromethyl-substituted benzene ring, offering unique electronic and steric properties ideal for advanced synthetic applications. It is supplied as a clear, colorless to pale-yellow liquid with exceptional stability under standard conditions. Suitable for research and industrial use, this compound is rigorously tested for purity (typically ≥97% by GC) and is packaged under inert gas to ensure longevity. Ideal for use in pharmaceuticals, agrochemicals, and materials science, it serves as a versatile building block for nucleophilic aromatic substitution, cross-coupling reactions, and ligand synthesis. Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 284463-96-3
• Complexity: 103
• IUPAC Name: 1,2,3-trifluoro-5-methyl-benzene
• InChI: InChI=1S/C7H5F3/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
• InChI Key: UHIGHLGTNVYXOP-UHFFFAOYSA-N
• Exact Mass: 146.03433465
• Molecular Formula: C7H5F3
• Molecular Weight: 146.11
• SMILES: CC1=CC(=C(C(=C1)F)F)F
• Monoisotopic Mass: 146.03433465
• Synonyms: 1,2,3-trifluoro-5-methylbenzene, 284463-96-3, DTXSID60590937, DTXCID00541701, 3,4,5-Trifluorotoluene, MFCD03425901, 1,2,3-trifluoro-5-methyl-benzene, SCHEMBL12621, SCHEMBL1098935, SCHEMBL2096101, SCHEMBL7632720, UHIGHLGTNVYXOP-UHFFFAOYSA-N, AKOS006279761, AC-7442, SY290692

Application

1,2,3-Trifluoro-5-methylbenzene is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its electron-withdrawing properties. It is utilized in cross-coupling reactions to create complex aromatic systems for organic electronics and liquid crystal materials. Researchers also leverage its structural motif in designing ligands for catalysis and metal-organic frameworks (MOFs).

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