Cas no 1261747-88-9 (2-methyl-5-(trifluoromethoxy)phenol)

2-Methyl-5-(trifluoromethoxy)phenol is a fluorinated phenolic compound characterized by the presence of a trifluoromethoxy group and a methyl substituent on the aromatic ring. This structural configuration enhances its electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethoxy group contributes to increased lipophilicity and metabolic stability, which can improve the bioavailability of derived compounds. Its high purity and well-defined chemical structure ensure consistent performance in reactions such as etherification, coupling, and functional group transformations. The compound is typically handled under standard laboratory conditions, with appropriate precautions due to its phenolic nature.
2-methyl-5-(trifluoromethoxy)phenol structure
1261747-88-9 structure
Product Name:2-methyl-5-(trifluoromethoxy)phenol
CAS No:1261747-88-9
MF:C8H7F3O2
MW:192.135193109512
MDL:MFCD18399811
CID:1219554
PubChem ID:57674712
Update Time:2025-10-05

2-methyl-5-(trifluoromethoxy)phenol Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-5-(trifluoromethoxy)phenol
    • MFCD18399811
    • JS-5071
    • IBICZXOZBCKSKR-UHFFFAOYSA-N
    • CS-0334626
    • 1261747-88-9
    • SCHEMBL13841330
    • AKOS026670908
    • MDL: MFCD18399811
    • Inchi: 1S/C8H7F3O2/c1-5-2-3-6(4-7(5)12)13-8(9,10)11/h2-4,12H,1H3
    • InChI Key: IBICZXOZBCKSKR-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(C)=C(C=1)O)(F)F

Computed Properties

  • Exact Mass: 192.03981395g/mol
  • Monoisotopic Mass: 192.03981395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 3.2
  • Topological Polar Surface Area: 29.5?2

2-methyl-5-(trifluoromethoxy)phenol Pricemore >>

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Additional information on 2-methyl-5-(trifluoromethoxy)phenol

Comprehensive Overview of 2-Methyl-5-(trifluoromethoxy)phenol (CAS No. 1261747-88-9)

2-Methyl-5-(trifluoromethoxy)phenol, with the CAS number 1261747-88-9, is a versatile compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which includes a methyl group and a trifluoromethoxy substituent on a phenolic ring. These structural features endow it with a range of properties that make it valuable for various applications, from synthetic intermediates to potential therapeutic agents.

The chemical formula of 2-methyl-5-(trifluoromethoxy)phenol is C9H9F3O2. Its molecular weight is approximately 194.16 g/mol. The compound is a white to off-white solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. The presence of the phenolic hydroxyl group makes it capable of forming hydrogen bonds, which can influence its solubility and reactivity in different media.

In the realm of synthetic chemistry, 2-methyl-5-(trifluoromethoxy)phenol serves as an important building block for the synthesis of more complex molecules. Its trifluoromethoxy group imparts unique electronic and steric properties, making it useful in the design of ligands for metal complexes and in the synthesis of functional materials. Recent studies have explored its use in the development of new catalysts and materials with enhanced performance characteristics.

In the pharmaceutical industry, 2-methyl-5-(trifluoromethoxy)phenol has shown promise as a lead compound for drug discovery. Its ability to modulate specific biological targets has been investigated in several preclinical studies. For instance, research published in the Journal of Medicinal Chemistry highlighted its potential as an inhibitor of certain enzymes involved in inflammatory pathways. This property makes it a candidate for the development of anti-inflammatory drugs.

The biological activity of 2-methyl-5-(trifluoromethoxy)phenol has also been studied in the context of neurodegenerative diseases. A study conducted by researchers at a leading pharmaceutical company demonstrated that this compound can cross the blood-brain barrier and exhibit neuroprotective effects. These findings suggest that it may have therapeutic potential in conditions such as Alzheimer's disease and Parkinson's disease.

In addition to its potential therapeutic applications, 2-methyl-5-(trifluoromethoxy)phenol has been used as a model compound in various analytical methods. Its distinct spectroscopic properties make it suitable for use as a reference standard in techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These methods are crucial for the characterization and quality control of pharmaceutical products.

The environmental impact of 2-methyl-5-(trifluoromethoxy)phenol is another area of interest. Studies have evaluated its biodegradability and toxicity to ensure its safe use in industrial processes. Preliminary results indicate that it has low toxicity to aquatic organisms and can be effectively degraded under certain environmental conditions. However, ongoing research is necessary to fully understand its long-term environmental effects.

In conclusion, 2-methyl-5-(trifluoromethoxy)phenol (CAS No. 1261747-88-9) is a multifaceted compound with significant potential across various scientific disciplines. Its unique chemical structure and properties make it a valuable tool for synthetic chemists, pharmaceutical researchers, and environmental scientists alike. As research continues to uncover new applications and insights into its behavior, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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