Cas no 1261909-87-8 (5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol)

5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol is a halogenated phenolic compound featuring a trifluoromethoxy substituent, which enhances its stability and potential reactivity in synthetic applications. The presence of both chloro and methyl groups on the phenyl ring contributes to its distinct electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical research. The trifluoromethoxy group improves lipophilicity, aiding in bioavailability and membrane permeability. This compound is particularly useful in the development of bioactive molecules due to its structural versatility and resistance to metabolic degradation. Its well-defined chemical structure ensures reproducibility in synthetic pathways, supporting its use in advanced organic synthesis.
5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol structure
1261909-87-8 structure
Product Name:5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol
CAS No:1261909-87-8
MF:C14H10ClF3O2
MW:302.676213741302
MDL:MFCD18316330
CID:2762850
PubChem ID:53222053
Update Time:2025-10-30

5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol Chemical and Physical Properties

Names and Identifiers

    • MFCD18316330
    • 5-(3-CHLORO-5-METHYLPHENYL)-3-TRIFLUOROMETHOXYPHENOL
    • 3'-Chloro-5'-methyl-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
    • 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%
    • 1261909-87-8
    • DTXSID70686633
    • 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol
    • MDL: MFCD18316330
    • Inchi: 1S/C14H10ClF3O2/c1-8-2-9(4-11(15)3-8)10-5-12(19)7-13(6-10)20-14(16,17)18/h2-7,19H,1H3
    • InChI Key: HHWPZVRRHMYLPA-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C)C=C(C=1)C1C=C(C=C(C=1)OC(F)(F)F)O

Computed Properties

  • Exact Mass: 302.0321417Da
  • Monoisotopic Mass: 302.0321417Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 324
  • 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: 5.4
  • Topological Polar Surface Area: 29.5?2

5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB322538-5 g
5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261909-87-8 95%
5g
€1159.00 2023-04-26
abcr
AB322538-5g
5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol, 95%; .
1261909-87-8 95%
5g
€1159.00 2025-04-21

Additional information on 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol

Comprehensive Overview of 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261909-87-8)

5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261909-87-8) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its unique trifluoromethoxy and chloro-methylphenyl functional groups, exhibits remarkable chemical properties that make it a valuable intermediate in synthetic chemistry. Researchers and industry professionals are increasingly exploring its potential applications, particularly in the development of novel bioactive molecules and advanced materials.

The structural features of 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol contribute to its versatility. The presence of the trifluoromethoxy group enhances its lipophilicity and metabolic stability, making it a promising candidate for drug discovery. Meanwhile, the chloro-methylphenyl moiety offers opportunities for further functionalization, enabling the synthesis of derivatives with tailored properties. These attributes align with current trends in green chemistry and sustainable synthesis, as scientists seek eco-friendly alternatives to traditional chemical processes.

In recent years, the demand for fluorinated compounds like 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol has surged due to their unique electronic and steric effects. Fluorination is a hot topic in medicinal chemistry, as it often improves the bioavailability and selectivity of therapeutic agents. This compound’s CAS No. 1261909-87-8 is frequently searched in academic databases and patent literature, reflecting its growing relevance in high-value chemical applications.

Another area of interest is the compound’s potential role in agrochemical innovation. With the global push for crop protection solutions that are both effective and environmentally benign, 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol could serve as a key building block for next-generation pesticides or herbicides. Its structural motifs are compatible with precision agriculture technologies, which aim to minimize chemical usage while maximizing efficacy.

From a technical standpoint, the synthesis and characterization of 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol require advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and HPLC purification. These methods ensure the compound’s purity and consistency, which are critical for research and industrial applications. The compound’s CAS registry number (1261909-87-8) is a vital identifier for regulatory compliance and safety assessments, underscoring its importance in chemical inventory management.

Looking ahead, the exploration of 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol is expected to expand into emerging fields like materials science and nanotechnology. Its fluorine-rich structure could contribute to the development of high-performance polymers or electronic materials, aligning with the growing demand for lightweight, durable, and energy-efficient products. As industries prioritize innovation and sustainability, this compound is poised to play a pivotal role in shaping future technologies.

In conclusion, 5-(3-Chloro-5-methylphenyl)-3-trifluoromethoxyphenol (CAS No. 1261909-87-8) represents a fascinating intersection of chemistry and application-driven research. Its multifaceted properties and adaptability make it a subject of ongoing investigation, with potential breakthroughs in pharmaceuticals, agrochemicals, and beyond. For researchers and industry stakeholders, understanding this compound’s capabilities is essential for staying at the forefront of scientific advancement.

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