Cas no 1261496-90-5 (2-methyl-5-[4-(trifluoromethyl)phenyl]phenol)

2-Methyl-5-[4-(trifluoromethyl)phenyl]phenol is a fluorinated phenolic compound characterized by its trifluoromethyl-substituted aromatic structure. This compound exhibits enhanced stability and lipophilicity due to the presence of the electron-withdrawing trifluoromethyl group, making it valuable in synthetic organic chemistry and pharmaceutical intermediates. Its unique structure allows for selective reactivity in cross-coupling reactions and functional group transformations. The phenol moiety provides a versatile handle for further derivatization, while the trifluoromethyl group contributes to improved metabolic resistance in bioactive molecules. This compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty materials where fluorine incorporation is desired for tuning physicochemical properties.
2-methyl-5-[4-(trifluoromethyl)phenyl]phenol structure
1261496-90-5 structure
Product Name:2-methyl-5-[4-(trifluoromethyl)phenyl]phenol
CAS No:1261496-90-5
MF:C14H11F3O
MW:252.231754541397
MDL:MFCD18313379
CID:1219126
PubChem ID:53219072
Update Time:2025-11-02

2-methyl-5-[4-(trifluoromethyl)phenyl]phenol Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol
    • 4-Methyl-4'-(trifluoromethyl)[1,1'-biphenyl]-3-ol
    • 1261496-90-5
    • MFCD18313379
    • 2-METHYL-5-(4-TRIFLUOROMETHYLPHENYL)PHENOL
    • 2-Methyl-5-(4-trifluoromethylphenyl)phenol, 95%
    • DTXSID50683948
    • MDL: MFCD18313379
    • Inchi: 1S/C14H11F3O/c1-9-2-3-11(8-13(9)18)10-4-6-12(7-5-10)14(15,16)17/h2-8,18H,1H3
    • InChI Key: CVRUGPQGTSYZGF-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C1C=CC(C)=C(C=1)O)(F)F

Computed Properties

  • Exact Mass: 252.07619946g/mol
  • Monoisotopic Mass: 252.07619946g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 269
  • 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: 4.5
  • Topological Polar Surface Area: 20.2?2

2-methyl-5-[4-(trifluoromethyl)phenyl]phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319392-5 g
2-Methyl-5-(4-trifluoromethylphenyl)phenol, 95%; .
1261496-90-5 95%
5 g
€1,159.00 2023-07-19
Alichem
A011006130-250mg
3-Hydroxy-4-methyl-4'-(trifluoromethyl)biphenyl
1261496-90-5 97%
250mg
$480.00 2023-09-03
Alichem
A011006130-500mg
3-Hydroxy-4-methyl-4'-(trifluoromethyl)biphenyl
1261496-90-5 97%
500mg
$839.45 2023-09-03
Alichem
A011006130-1g
3-Hydroxy-4-methyl-4'-(trifluoromethyl)biphenyl
1261496-90-5 97%
1g
$1475.10 2023-09-03
abcr
AB319392-5g
2-Methyl-5-(4-trifluoromethylphenyl)phenol, 95%; .
1261496-90-5 95%
5g
€1159.00 2025-02-21

Additional information on 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol

Comprehensive Guide to 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol (CAS No. 1261496-90-5): Properties, Applications, and Market Insights

2-methyl-5-[4-(trifluoromethyl)phenyl]phenol (CAS No. 1261496-90-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This trifluoromethyl-substituted phenol derivative exhibits unique physicochemical properties, making it a valuable intermediate in synthetic chemistry. With the growing demand for fluorinated compounds in drug discovery, understanding this chemical's characteristics and applications becomes increasingly important for researchers and industry professionals.

The molecular structure of 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol features both a methyl group and a trifluoromethyl group attached to a phenolic ring system. This combination creates interesting electronic effects that influence the compound's reactivity and solubility profile. Recent studies highlight its potential as a building block for pharmaceutical intermediates, particularly in the development of novel bioactive molecules with improved metabolic stability.

In pharmaceutical applications, the 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol scaffold has shown promise in medicinal chemistry. The trifluoromethyl group is known to enhance lipophilicity and membrane permeability, crucial factors in drug design. Researchers are particularly interested in how this compound might contribute to the development of targeted therapies, especially in areas like inflammation and metabolic disorders where fluorinated compounds have demonstrated therapeutic advantages.

The synthesis of CAS 1261496-90-5 typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Advanced purification techniques such as column chromatography and recrystallization are often employed to obtain material suitable for research applications. Analytical characterization using NMR spectroscopy and mass spectrometry confirms the identity and purity of this compound.

From a material science perspective, 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol has potential applications in the development of specialty polymers and coatings. The presence of both phenolic and fluorinated moieties offers opportunities for creating materials with unique surface properties and chemical resistance. This aligns with current industry trends toward high-performance materials for advanced technological applications.

The global market for fluorinated phenolic compounds like 1261496-90-5 has shown steady growth, driven by increasing R&D investment in pharmaceutical and specialty chemical sectors. Market analysts note particular demand from regions with strong pharmaceutical manufacturing capabilities, including North America, Europe, and parts of Asia. The compound's relative novelty means it occupies a niche but potentially lucrative segment of the fine chemicals market.

Handling and storage of 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol require standard laboratory precautions for organic compounds. While not classified as hazardous under normal conditions, proper chemical safety protocols should always be followed. Researchers frequently search for information about the compound's stability under various conditions and compatibility with common solvents, reflecting practical concerns in laboratory applications.

Recent patent literature reveals growing interest in CAS 1261496-90-5 as a synthetic intermediate. Several applications describe its use in preparing compounds with potential biological activity, particularly in areas like enzyme inhibition and receptor modulation. This aligns with broader trends in drug discovery where fluorine-containing compounds represent an important class of investigational agents.

Environmental considerations for 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol are becoming increasingly important in chemical research. While not classified as a persistent organic pollutant, the environmental fate of fluorinated aromatic compounds is an active area of investigation. Researchers are examining biodegradation pathways and potential ecological impacts, reflecting the chemical industry's growing emphasis on green chemistry principles.

Quality control for 1261496-90-5 typically involves rigorous analytical testing to ensure batch-to-batch consistency. Common specifications include minimum purity levels (often ≥95% by HPLC), limits for residual solvents, and confirmation of structural identity. These parameters are crucial for researchers who require reproducible results in their experiments with this specialty chemical.

The future outlook for 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol appears promising, with potential applications extending beyond current uses. Emerging research areas like materials for energy storage and advanced catalysis may create new opportunities for this compound. As synthetic methodologies continue to advance, the accessibility and utility of this fluorinated phenolic derivative are likely to increase.

For researchers working with CAS 1261496-90-5, understanding its spectroscopic properties is essential. The compound exhibits characteristic infrared absorption bands corresponding to its functional groups, and its NMR spectra show distinct patterns that aid in identification. These analytical features make it relatively straightforward to characterize and track in complex reaction mixtures.

In conclusion, 2-methyl-5-[4-(trifluoromethyl)phenyl]phenol represents an interesting case study in the growing importance of fluorinated aromatic compounds in modern chemistry. Its combination of synthetic utility and potential applications in multiple fields ensures continued interest from the scientific community. As research progresses, we can anticipate new discoveries about this compound's properties and applications that may further expand its role in chemical innovation.

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