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Atomfair alpha,alpha,alpha,alpha’,alpha’-Pentafluoro-o-xylene C8H5F5 CAS 312-95-8

alpha,alpha,alpha,alpha’,alpha’-Pentafluoro-o-xylene (CAS No. 312-95-8) is a highly fluorinated aromatic compound with the molecular formula C8H5F5. This specialty chemical, also known as 1-(difluoromethyl)-2-(trifluoromethyl)benzene , features a benzene ring substituted with both a difluoromethyl and a trifluoromethyl group, offering unique reactivity and stability for advanced synthetic applications. With its high fluorine content, this compound is particularly valuable in the development of pharmaceuticals, agrochemicals, and materials science, where fluorinated intermediates are essential for enhancing metabolic stability, lipophilicity, and electronic properties. The compound is supplied as a high-purity liquid (verify physical state if necessary) and should be stored under inert conditions to maintain its…

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Description

alpha,alpha,alpha,alpha’,alpha’-Pentafluoro-o-xylene (CAS No. 312-95-8) is a highly fluorinated aromatic compound with the molecular formula C8H5F5. This specialty chemical, also known as 1-(difluoromethyl)-2-(trifluoromethyl)benzene, features a benzene ring substituted with both a difluoromethyl and a trifluoromethyl group, offering unique reactivity and stability for advanced synthetic applications. With its high fluorine content, this compound is particularly valuable in the development of pharmaceuticals, agrochemicals, and materials science, where fluorinated intermediates are essential for enhancing metabolic stability, lipophilicity, and electronic properties. The compound is supplied as a high-purity liquid (verify physical state if necessary) and should be stored under inert conditions to maintain its integrity. Ideal for researchers and scientists working on fluorination reactions, catalysis, or the synthesis of complex organic molecules.

Properties

  • CAS Number: 312-95-8
  • Complexity: 162
  • IUPAC Name: 1-(difluoromethyl)-2-(trifluoromethyl)benzene
  • InChI: InChI=1S/C8H5F5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
  • InChI Key: LYADDKODNUCIMF-UHFFFAOYSA-N
  • Exact Mass: 196.03114097
  • Molecular Formula: C8H5F5
  • Molecular Weight: 196.12
  • SMILES: C1=CC=C(C(=C1)C(F)F)C(F)(F)F
  • Monoisotopic Mass: 196.03114097
  • Synonyms: 1-(difluoromethyl)-2-(trifluoromethyl)benzene, 312-95-8, alpha,alpha,alpha,alpha’,alpha’-Pentafluoro-o-xylene, EINECS 206-234-1, SCHEMBL1063349, SCHEMBL1064623, SCHEMBL1065986, SCHEMBL1066657, SCHEMBL6632407, SCHEMBL10546400, DTXSID70185131, LYADDKODNUCIMF-UHFFFAOYSA-N, MFCD11042223, AKOS006306299, SY265703, CS-0450877, NS00041826, 1-(Difluoromethyl)-2-(trifluoromethyl)benzene stabilized over potassium carbonate

Application

alpha,alpha,alpha,alpha’,alpha’-Pentafluoro-o-xylene is widely used as a versatile fluorinated building block in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its electron-withdrawing properties make it valuable in cross-coupling reactions and as a precursor for ligands in catalysis. Researchers also employ this compound in materials science to develop fluorinated polymers with enhanced thermal and chemical resistance. Additionally, it serves as a key intermediate in the synthesis of liquid crystals and specialty coatings.

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