Description

4-Fluoro-2-methyl-1-(trifluoromethyl)benzene (CAS No. 80245-26-7) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₆F₄. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique structural properties. The presence of both fluorine and trifluoromethyl groups enhances its electron-withdrawing characteristics, making it a valuable intermediate in the synthesis of advanced organic compounds. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for liquid crystals or bioactive molecules.

Properties

• CAS Number: 80245-26-7
• Complexity: 152
• IUPAC Name: 4-fluoro-2-methyl-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
• InChI Key: XBUKSKTZQURUDT-UHFFFAOYSA-N
• Exact Mass: 178.04056284
• Molecular Formula: C8H6F4
• Molecular Weight: 178.13
• SMILES: CC1=C(C=CC(=C1)F)C(F)(F)F
• Monoisotopic Mass: 178.04056284
• Synonyms: 80245-26-7, 4-fluoro-2-methylbenzotrifluoride, 4-fluoro-2-methyl-1-(trifluoromethyl)benzene, 2-methyl-4-fluorobenzotrifluoride, MFCD04972884, Benzene, 4-fluoro-2-methyl-1-(trifluoromethyl)-, 4-Fluoro-2-methyl-1-trifluoromethyl-benzene, 4-trifluoromethyl-3-methylfluorobenzene, SCHEMBL299182, SCHEMBL1119447, DTXSID00461556, HEKOQCAFXDHNQT-UHFFFAOYSA-N, 4-fluoro-2-methyl-benzotrifluoride, BBL100862, STL554656, AKOS005255471, MS-20089, F85903

Application

4-Fluoro-2-methyl-1-(trifluoromethyl)benzene serves as a key intermediate in pharmaceutical synthesis, particularly for fluorinated drug candidates. Its electron-deficient aromatic ring facilitates palladium-catalyzed coupling reactions in agrochemical development. Researchers also employ it to modify polymer properties or as a precursor for liquid crystal materials in display technologies.

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