Cas no 1261789-84-7 (5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol)

5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol is a fluorinated phenolic compound characterized by the presence of two trifluoromethyl groups, enhancing its chemical stability and lipophilicity. The electron-withdrawing nature of the trifluoromethyl substituents influences its reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its structural features contribute to improved metabolic resistance and binding affinity in target applications. The compound’s high purity and well-defined molecular structure ensure consistent performance in specialized reactions, particularly in the development of fluorinated active ingredients. Its compatibility with organofluorine chemistry makes it suitable for advanced research and industrial processes requiring precise functionalization.
5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol structure
1261789-84-7 structure
Product Name:5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol
CAS No:1261789-84-7
MF:C14H8F6O
MW:306.203145027161
MDL:MFCD18316391
CID:2761345
PubChem ID:53222114
Update Time:2025-10-29

5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol Chemical and Physical Properties

Names and Identifiers

    • DTXSID20686688
    • 2',5-Bis(trifluoromethyl)[1,1'-biphenyl]-3-ol
    • 1261789-84-7
    • 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol, 95%
    • 5-(2-TRIFLUOROMETHYLPHENYL)-3-TRIFLUOROMETHYLPHENOL
    • MFCD18316391
    • 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol
    • MDL: MFCD18316391
    • Inchi: 1S/C14H8F6O/c15-13(16,17)9-5-8(6-10(21)7-9)11-3-1-2-4-12(11)14(18,19)20/h1-7,21H
    • InChI Key: FNIHLWFRRBCLKL-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C1C=C(C=C(C(F)(F)F)C=1)O)(F)F

Computed Properties

  • Exact Mass: 306.04793385Da
  • Monoisotopic Mass: 306.04793385Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 350
  • 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: 5
  • Topological Polar Surface Area: 20.2?2

5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011001206-1g
5,2'-Bis(trifluoromethyl)-3-hydroxybiphenyl
1261789-84-7 97%
1g
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abcr
AB322599-5 g
5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol, 95%; .
1261789-84-7 95%
5g
€1,159.00 2022-08-31
abcr
AB322599-5g
5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol, 95%; .
1261789-84-7 95%
5g
€1159.00 2025-04-21

Additional information on 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol

Comprehensive Overview of 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol (CAS No. 1261789-84-7)

5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol (CAS No. 1261789-84-7) is a specialized organic compound featuring a unique molecular structure with two trifluoromethyl groups attached to a phenol backbone. This compound has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and advanced material science due to its distinct electronic and steric properties. The presence of trifluoromethyl groups enhances its lipophilicity and metabolic stability, making it a valuable intermediate in the synthesis of bioactive molecules.

In recent years, the demand for fluorinated compounds like 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol has surged, driven by their applications in drug discovery and crop protection. Researchers are particularly interested in its potential as a building block for small-molecule inhibitors and pesticide formulations. The compound's ability to modulate biological activity through hydrogen bonding and hydrophobic interactions has made it a subject of numerous studies. Additionally, its stability under various environmental conditions makes it suitable for long-term applications.

The synthesis of 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol typically involves multi-step organic reactions, including Friedel-Crafts acylation and nucleophilic substitution. Advanced analytical techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its purity and structural integrity. Given its complex synthesis, the compound is often produced in small batches for research purposes, with strict quality control measures in place.

From an environmental perspective, the biodegradability and ecotoxicity of 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol are areas of active investigation. Regulatory agencies are increasingly focusing on the environmental impact of fluorinated organic compounds, prompting manufacturers to adopt greener synthesis routes. This aligns with the global shift toward sustainable chemistry and the reduction of hazardous waste in industrial processes.

In the pharmaceutical industry, 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol is explored for its potential in designing kinase inhibitors and anti-inflammatory agents. Its structural motif is found in several experimental drugs targeting cancer and autoimmune diseases. The compound's ability to penetrate cell membranes and interact with specific protein targets makes it a promising candidate for further development.

For researchers and industry professionals, sourcing high-quality 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol is critical. Suppliers often provide detailed technical data sheets, including HPLC purity and melting point specifications, to ensure compliance with research standards. As the compound gains traction, collaborations between academic institutions and chemical manufacturers are expected to expand, driving innovation in its applications.

In summary, 5-(2-Trifluoromethylphenyl)-3-trifluoromethylphenol (CAS No. 1261789-84-7) represents a versatile and high-value compound with broad applicability across multiple industries. Its unique properties and growing relevance in drug discovery and material science underscore its importance in modern chemistry. Future research will likely uncover new uses, further solidifying its role as a key player in advanced chemical synthesis.

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