Cas no 1261919-99-6 (5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol)

5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol is a fluorinated phenolic compound featuring a trifluoromethoxy substituent, which enhances its stability and lipophilicity. The presence of both fluorine and trifluoromethoxy groups contributes to its unique electronic and steric properties, making it valuable in pharmaceutical and agrochemical research. This compound is particularly useful as an intermediate in the synthesis of biologically active molecules, where its structural motifs can influence binding affinity and metabolic resistance. Its well-defined chemical structure allows for precise modifications, facilitating the development of novel compounds with tailored properties. High purity and consistent synthesis protocols ensure reliability for research and industrial applications.
5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol structure
1261919-99-6 structure
Product Name:5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol
CAS No:1261919-99-6
MF:C14H10F4O2
MW:286.221618175507
MDL:MFCD18316240
CID:2763503
PubChem ID:53221963
Update Time:2025-10-29

5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 2'-Fluoro-5'-methyl-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%
    • DTXSID10686551
    • 1261919-99-6
    • 5-(2-FLUORO-5-METHYLPHENYL)-3-TRIFLUOROMETHOXYPHENOL
    • MFCD18316240
    • 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol
    • MDL: MFCD18316240
    • Inchi: 1S/C14H10F4O2/c1-8-2-3-13(15)12(4-8)9-5-10(19)7-11(6-9)20-14(16,17)18/h2-7,19H,1H3
    • InChI Key: UXMAYYIIPUZEHU-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C)C=C1C1C=C(C=C(C=1)OC(F)(F)F)O

Computed Properties

  • Exact Mass: 286.06169221Da
  • Monoisotopic Mass: 286.06169221Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 321
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 29.5?2

5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322448-5 g
5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261919-99-6 95%
5g
€1,159.00 2022-08-31
abcr
AB322448-5g
5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261919-99-6 95%
5g
€1159.00 2025-04-21

5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol Related Literature

Additional information on 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol

Comprehensive Guide to 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261919-99-6): Properties, Applications, and Market Insights

5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol (CAS 1261919-99-6) is a specialized fluorinated phenolic compound gaining attention in advanced material science and pharmaceutical research. This structurally unique molecule combines a trifluoromethoxy group with a fluorinated methylphenyl moiety, creating distinctive chemical properties that make it valuable for various industrial applications.

The molecular structure of 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol features three key functional elements: a phenol core, a 2-fluoro-5-methylphenyl substituent at position 5, and a trifluoromethoxy group at position 3. This combination results in enhanced thermal stability and lipophilicity compared to non-fluorinated analogs, properties that are increasingly sought after in modern material design.

Recent studies highlight the growing importance of fluorinated phenolic compounds in pharmaceutical intermediates. The presence of both fluorine and trifluoromethoxy groups in CAS 1261919-99-6 improves metabolic stability and membrane permeability, making it particularly interesting for drug discovery programs targeting CNS disorders and inflammatory conditions.

In material science applications, 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol serves as a building block for advanced polymers. Its ability to impart both hydrophobicity and chemical resistance makes it valuable for creating specialty coatings, particularly in electronics encapsulation where moisture protection is critical. The compound's thermal stability also contributes to its utility in high-performance adhesives and composite materials.

The synthesis of 1261919-99-6 typically involves multi-step organic reactions starting from appropriately substituted benzene derivatives. Modern synthetic approaches emphasize atom economy and green chemistry principles, reflecting the pharmaceutical industry's growing focus on sustainable production methods. Researchers are particularly interested in developing more efficient routes to introduce the trifluoromethoxy functionality, which remains a challenging transformation in organic synthesis.

Analytical characterization of 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol employs standard techniques including NMR spectroscopy (particularly 19F NMR for fluorine detection), mass spectrometry, and HPLC purity analysis. The compound typically appears as a white to off-white crystalline solid at room temperature, with solubility characteristics that vary significantly between polar organic solvents and non-polar media.

Market trends indicate growing demand for fluorinated specialty chemicals like CAS 1261919-99-6, driven by expansion in the pharmaceutical and advanced materials sectors. Industry analysts project steady growth in this market segment, particularly as more applications are discovered for trifluoromethoxy-containing compounds in agrochemicals and electronic materials.

Safety considerations for handling 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol follow standard laboratory protocols for phenolic compounds. While not classified as highly hazardous, proper personal protective equipment including gloves and eye protection is recommended when working with this material in powder form. Storage typically requires protection from moisture and light to maintain stability.

Recent patent literature reveals increasing interest in 1261919-99-6 and related structures as key intermediates. Several 2022-2023 patent applications describe its use in novel pharmaceutical candidates, particularly in kinase inhibitor development. This aligns with broader industry trends toward targeted therapies where fluorinated building blocks play crucial roles in optimizing drug properties.

Environmental fate studies of trifluoromethoxy phenolic compounds suggest they exhibit moderate persistence but low bioaccumulation potential. The environmental chemistry community continues to investigate the degradation pathways of such fluorinated aromatics, with particular attention to potential decomposition products under various conditions.

For researchers sourcing 5-(2-Fluoro-5-methylphenyl)-3-trifluoromethoxyphenol, quality specifications typically emphasize purity (>98% by HPLC), residual solvent content, and confirmation of structural identity through spectroscopic methods. Custom synthesis options are increasingly available to meet specific research needs, including isotopic labeling for metabolic studies.

The future outlook for CAS 1261919-99-6 appears promising, with potential applications expanding beyond current uses. Emerging research areas like fluorinated liquid crystals and organic electronic materials may create new demand for this versatile fluorophenolic compound. Continued innovation in synthetic methodology will likely improve accessibility and reduce production costs over time.

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