Cas no 1261578-07-7 (2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol)

2-Methyl-5-[3-(trifluoromethoxy)phenyl]phenol is a fluorinated phenolic compound characterized by the presence of a trifluoromethoxy substituent on the phenyl ring. This structural feature enhances its lipophilicity and metabolic stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethoxy group contributes to improved bioavailability and resistance to enzymatic degradation, while the phenolic hydroxyl group allows for further functionalization. Its unique electronic properties, derived from the electron-withdrawing trifluoromethoxy moiety, make it useful in designing bioactive molecules with tailored reactivity. The compound is typically employed in research applications requiring precise modulation of steric and electronic effects in aromatic systems.
2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol structure
1261578-07-7 structure
Product Name:2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol
CAS No:1261578-07-7
MF:C14H11F3O2
MW:268.231154680252
MDL:MFCD18313442
CID:1219130
PubChem ID:53219135
Update Time:2025-11-02

2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol
    • 4-Methyl-3'-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • DTXSID50684011
    • 2-Methyl-5-(3-trifluoromethoxyphenyl)phenol, 95%
    • MFCD18313442
    • 2-METHYL-5-(3-TRIFLUOROMETHOXYPHENYL)PHENOL
    • 1261578-07-7
    • MDL: MFCD18313442
    • Inchi: 1S/C14H11F3O2/c1-9-5-6-11(8-13(9)18)10-3-2-4-12(7-10)19-14(15,16)17/h2-8,18H,1H3
    • InChI Key: VKZKAUWRFNXNLE-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC=CC(=C1)C1C=CC(C)=C(C=1)O)(F)F

Computed Properties

  • Exact Mass: 268.07111408g/mol
  • Monoisotopic Mass: 268.07111408g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 293
  • 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: 4.7
  • Topological Polar Surface Area: 29.5?2

2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319455-5 g
2-Methyl-5-(3-trifluoromethoxyphenyl)phenol, 95%; .
1261578-07-7 95%
5 g
€1,159.00 2023-07-19
Alichem
A011006840-250mg
3-Hydroxy-4-methyl-3'-(trifluoromethoxy)biphenyl
1261578-07-7 97%
250mg
$470.40 2023-09-03
Alichem
A011006840-500mg
3-Hydroxy-4-methyl-3'-(trifluoromethoxy)biphenyl
1261578-07-7 97%
500mg
$815.00 2023-09-03
Alichem
A011006840-1g
3-Hydroxy-4-methyl-3'-(trifluoromethoxy)biphenyl
1261578-07-7 97%
1g
$1475.10 2023-09-03
abcr
AB319455-5g
2-Methyl-5-(3-trifluoromethoxyphenyl)phenol, 95%; .
1261578-07-7 95%
5g
€1159.00 2025-04-21

Additional information on 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol

Comprehensive Guide to 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol (CAS No. 1261578-07-7): Properties, Applications, and Market Insights

2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol (CAS No. 1261578-07-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This compound, characterized by a phenol core substituted with a methyl group and a trifluoromethoxyphenyl moiety, exhibits remarkable chemical stability and bioactivity. Its molecular formula is C14H11F3O2, and it belongs to the class of fluorinated aromatic compounds, which are widely studied for their applications in drug discovery and material science.

The growing interest in 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol is driven by its potential as a building block in the synthesis of bioactive molecules. Researchers have explored its utility in developing antimicrobial agents, anti-inflammatory compounds, and even pesticide intermediates. The presence of the trifluoromethoxy group enhances the compound's lipophilicity, making it particularly valuable in optimizing the pharmacokinetic properties of drug candidates. This aligns with the current industry focus on fluorinated pharmaceuticals, which account for a significant portion of newly approved drugs.

From a chemical perspective, 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol demonstrates excellent thermal stability, with a melting point typically ranging between 80-85°C. Its solubility profile shows preferential dissolution in organic solvents like ethanol, acetone, and dichloromethane, while being sparingly soluble in water. These properties make it particularly suitable for organic synthesis applications where controlled reactivity is desired. Recent studies have highlighted its role in cross-coupling reactions, a hot topic in modern synthetic chemistry due to their efficiency in constructing complex molecular architectures.

The commercial availability of 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol (CAS No. 1261578-07-7) has expanded significantly in recent years, reflecting the growing demand from pharmaceutical research and agrochemical development sectors. Major chemical suppliers typically offer this compound with purity levels exceeding 97%, meeting the stringent requirements of medicinal chemistry applications. Market analysts note that the increasing adoption of high-throughput screening technologies has further boosted demand for such specialized building blocks, as researchers seek diverse chemical space for drug discovery programs.

Quality control for 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol involves rigorous analytical techniques, including HPLC, GC-MS, and NMR spectroscopy. These methods ensure batch-to-batch consistency and verify the absence of impurities that could interfere with downstream applications. The compound's stability under standard storage conditions (typically recommended at 2-8°C in airtight containers) makes it convenient for laboratory use, addressing a common concern among researchers about compound degradation during storage.

Environmental and safety considerations for 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol follow standard laboratory chemical handling protocols. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses is recommended when handling this material. The compound's environmental fate and biodegradability characteristics are areas of ongoing research, particularly given the current regulatory focus on persistent organic pollutants and green chemistry principles in industrial applications.

Future research directions for 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol (CAS No. 1261578-07-7) may explore its potential in material science applications, particularly in the development of specialty polymers or liquid crystal materials. The compound's aromatic structure and fluorine content suggest possible utility in advanced materials with unique electronic or optical properties. Additionally, its application in catalysis and as a ligand in transition metal complexes represents another promising avenue for investigation, building on current trends in organofluorine chemistry.

For researchers considering 2-methyl-5-[3-(trifluoromethoxy)phenyl]phenol for their projects, several key suppliers offer this compound with detailed technical specifications. Comparative analysis of available products should consider factors such as purity levels, packaging options, and supplementary analytical data. The current market price reflects its status as a specialty chemical, with variations depending on quantity and purity requirements. As with any research chemical, proper documentation of source and quality is essential for reproducible results in drug discovery and chemical biology applications.

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