Cas no 1261966-88-4 (5-(2-Fluoro-4-methylphenyl)-2-methylphenol)

5-(2-Fluoro-4-methylphenyl)-2-methylphenol is a fluorinated phenolic compound characterized by its unique structural features, including a methyl-substituted phenyl ring and a fluoro-methylphenyl moiety. This configuration imparts distinct electronic and steric properties, making it valuable as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The fluorine substitution enhances metabolic stability and bioavailability, while the methyl groups contribute to improved lipophilicity. Its well-defined molecular structure ensures consistency in reactivity, facilitating precise modifications in complex synthetic pathways. The compound is typically handled under controlled conditions due to its sensitivity, requiring appropriate storage and handling protocols to maintain stability.
5-(2-Fluoro-4-methylphenyl)-2-methylphenol structure
1261966-88-4 structure
Product Name:5-(2-Fluoro-4-methylphenyl)-2-methylphenol
CAS No:1261966-88-4
MF:C14H13FO
MW:216.250827550888
MDL:MFCD18313147
CID:2766526
PubChem ID:53218840
Update Time:2025-05-22

5-(2-Fluoro-4-methylphenyl)-2-methylphenol Chemical and Physical Properties

Names and Identifiers

    • 5-(2-FLUORO-4-METHYLPHENYL)-2-METHYLPHENOL
    • 5-(2-Fluoro-4-methylphenyl)-2-methylphenol, 95%
    • DTXSID60683737
    • 1261966-88-4
    • 2'-Fluoro-4,4'-dimethyl[1,1'-biphenyl]-3-ol
    • MFCD18313147
    • 5-(2-Fluoro-4-methylphenyl)-2-methylphenol
    • MDL: MFCD18313147
    • Inchi: 1S/C14H13FO/c1-9-3-6-12(13(15)7-9)11-5-4-10(2)14(16)8-11/h3-8,16H,1-2H3
    • InChI Key: ZXRJTAHBUXZYFJ-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C=CC=1C1C=CC(C)=C(C=1)O

Computed Properties

  • Exact Mass: 216.095043196Da
  • Monoisotopic Mass: 216.095043196Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 20.2?2

5-(2-Fluoro-4-methylphenyl)-2-methylphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319155-5 g
5-(2-Fluoro-4-methylphenyl)-2-methylphenol, 95%; .
1261966-88-4 95%
5g
€1159.00 2023-04-26
abcr
AB319155-5g
5-(2-Fluoro-4-methylphenyl)-2-methylphenol, 95%; .
1261966-88-4 95%
5g
€1159.00 2025-04-21

Additional information on 5-(2-Fluoro-4-methylphenyl)-2-methylphenol

Comprehensive Overview of 5-(2-Fluoro-4-methylphenyl)-2-methylphenol (CAS No. 1261966-88-4): Properties, Applications, and Industry Insights

5-(2-Fluoro-4-methylphenyl)-2-methylphenol (CAS 1261966-88-4) is a fluorinated phenolic compound gaining attention in pharmaceutical and material science research. This specialty chemical features a unique molecular structure combining a fluorinated aromatic ring with a methyl-substituted phenol, making it valuable for drug intermediate synthesis and functional material development. Its CAS registry number serves as a critical identifier for researchers exploring fluorine-containing compounds in modern chemistry.

The compound's structure-activity relationship has become a focal point for researchers investigating bioactive molecules. Recent studies suggest potential applications in developing targeted therapeutics, particularly where fluorine substitution enhances membrane permeability. The methylphenol moiety contributes to its antioxidant properties, while the fluoro-methylphenyl group may influence molecular recognition in biological systems. These characteristics align with current trends in precision medicine and small molecule drug discovery.

From a synthetic chemistry perspective, 1261966-88-4 represents an interesting case study in regioselective fluorination techniques. Manufacturers employ advanced catalytic processes to achieve the specific substitution pattern, with yields optimized through green chemistry principles. The compound's thermal stability (typically >200°C) and moderate solubility in organic solvents make it suitable for various formulation applications.

Quality control protocols for 5-(2-Fluoro-4-methylphenyl)-2-methylphenol emphasize HPLC purity analysis and spectroscopic characterization. The fluorine NMR signal (typically -115 to -120 ppm) serves as a key identifier, complemented by mass spectrometry for molecular weight confirmation. These analytical methods address growing industry demands for high-purity intermediates in regulated applications.

Emerging applications leverage the compound's photophysical properties for advanced material development. Researchers report its potential in liquid crystal formulations and organic electronic components, where the fluorine atom influences dielectric properties. This aligns with market trends toward fluorinated functional materials for flexible electronics and energy storage systems.

Safety assessments indicate that CAS 1261966-88-4 requires standard laboratory precautions for handling organic compounds. Proper personal protective equipment (PPE) and ventilation controls are recommended during synthesis or formulation processes. The compound's environmental fate and biodegradation pathways remain active research areas, particularly regarding fluorinated aromatic persistence.

The commercial landscape for 5-(2-Fluoro-4-methylphenyl)-2-methylphenol reflects growing demand from contract research organizations and specialty chemical suppliers. Current market analyses suggest increasing applications in pharmaceutical building blocks and material science innovations. Pricing trends correlate with fluorine source availability and synthetic route optimization in production scale-up.

Future research directions may explore the compound's potential in catalysis as a ligand modifier or in polymer chemistry as a functional monomer. The structure-property relationships of such fluorophenolic compounds continue to offer intriguing possibilities for molecular design across multiple disciplines. These developments align with broader industry movements toward sustainable fluorochemistry and atom-efficient synthesis.

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