Description

2,4-Difluoro-1-(trifluoromethoxy)benzene (CAS No. 1404194-72-4) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃F₅O. This specialty chemical is characterized by its unique trifluoromethoxy and difluoro substitution pattern on the benzene ring, making it a valuable intermediate in pharmaceutical, agrochemical, and advanced materials research. Available in ≥98% purity (GC), it is supplied in rigorously tested batches with detailed analytical reports (NMR, MS, HPLC). Suitable for use in cross-coupling reactions, fluorination studies, and as a building block for liquid crystals or OLED materials. Packaged under inert gas in amber glass vials to ensure stability and longevity.

Properties

• CAS Number: 1404194-72-4
• Complexity: 169
• IUPAC Name: 2,4-difluoro-1-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3F5O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
• InChI Key: KWYSKALMBDXKKS-UHFFFAOYSA-N
• Exact Mass: 198.01040553
• Molecular Formula: C7H3F5O
• Molecular Weight: 198.09
• SMILES: C1=CC(=C(C=C1F)F)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 198.01040553
• Synonyms: 2,4-difluoro-1-(trifluoromethoxy)benzene, 1404194-72-4, 1,3-Difluoro-4-(trifluoromethoxy)benzene, MFCD22580983, SCHEMBL12566385, SCHEMBL17529625, SCHEMBL17529639, SCHEMBL17529643, KWYSKALMBDXKKS-UHFFFAOYSA-N, AKOS016016079, CS-0445925, EN300-142561, Z1541671949

Application

2,4-Difluoro-1-(trifluoromethoxy)benzene serves as a key synthon in the development of fluorinated pharmaceuticals, particularly for CNS-active compounds. Its electron-withdrawing properties make it ideal for Suzuki-Miyaura couplings in agrochemical synthesis. Researchers also utilize it as a precursor for fluorinated liquid crystals in display technologies.

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