Cas no 653578-81-5 (Phenol, 2-chloro-3-(trifluoromethoxy)-)

Phenol, 2-chloro-3-(trifluoromethoxy)-, is a halogenated phenolic compound featuring both chloro and trifluoromethoxy substituents on the aromatic ring. This structural configuration enhances its reactivity and stability, making it a valuable intermediate in organic synthesis, particularly for agrochemicals and pharmaceuticals. The presence of the trifluoromethoxy group contributes to increased lipophilicity and metabolic resistance, which can improve the efficacy of derived compounds. Its precise substitution pattern allows for selective functionalization, enabling tailored applications in fine chemical manufacturing. The compound is typically handled under controlled conditions due to its reactive nature, ensuring optimal purity and performance in downstream processes.
Phenol, 2-chloro-3-(trifluoromethoxy)- structure
653578-81-5 structure
Product Name:Phenol, 2-chloro-3-(trifluoromethoxy)-
CAS No:653578-81-5
MF:C7H4ClF3O2
MW:212.553671836853
CID:400271
PubChem ID:54035267
Update Time:2025-08-02

Phenol, 2-chloro-3-(trifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-chloro-3-(trifluoromethoxy)-
    • 2-chloro-3-(trifluoromethoxy)phenol
    • DTXSID90708563
    • SCHEMBL2089045
    • LIMHRALQRCJGLF-UHFFFAOYSA-N
    • 653578-81-5
    • Inchi: 1S/C7H4ClF3O2/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3,12H
    • InChI Key: LIMHRALQRCJGLF-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=CC=1OC(F)(F)F)O

Computed Properties

  • Exact Mass: 211.98522
  • Monoisotopic Mass: 211.9851915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 3.4
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46

Phenol, 2-chloro-3-(trifluoromethoxy)- Pricemore >>

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Additional information on Phenol, 2-chloro-3-(trifluoromethoxy)-

Phenol, 2-chloro-3-(trifluoromethoxy): A Comprehensive Overview

Phenol, 2-chloro-3-(trifluoromethoxy), also known by its CAS number 653578-81-5, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a phenolic group substituted with a chlorine atom at the 2-position and a trifluoromethoxy group at the 3-position. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable compound for various applications.

The phenol core of this compound serves as a versatile platform for further chemical modifications. The presence of the chlorine substituent introduces electron-withdrawing effects, which can influence the reactivity of the molecule in different chemical reactions. On the other hand, the trifluoromethoxy group is a strong electron-withdrawing group due to the electronegativity of fluorine atoms. This group not only enhances the stability of the compound but also contributes to its unique spectroscopic properties.

Recent studies have highlighted the potential of Phenol, 2-chloro-3-(trifluoromethoxy) in drug discovery and material synthesis. For instance, researchers have explored its role as a building block for constructing bioactive molecules with potential anti-inflammatory and antioxidant properties. The compound's ability to undergo various substitution reactions has made it a valuable intermediate in organic synthesis.

In terms of physical properties, Phenol, 2-chloro-3-(trifluoromethoxy) exhibits a high melting point due to its rigid structure and strong intermolecular hydrogen bonding. Its solubility in polar solvents is also notable, which facilitates its use in solution-based chemical reactions. The compound's UV-Vis absorption spectrum has been studied extensively, revealing its potential as a chromophore in optoelectronic materials.

From an environmental perspective, understanding the degradation pathways of Phenol, 2-chloro-3-(trifluoromethoxy) is crucial for assessing its impact on ecosystems. Recent research has shown that this compound undergoes hydrolysis under specific conditions, leading to the formation of less hazardous byproducts. This information is vital for developing sustainable industrial processes that minimize environmental contamination.

The synthesis of Phenol, 2-chloro-3-(trifluoromethoxy) typically involves multi-step reactions, including nucleophilic aromatic substitution and electrophilic substitution. These methods require precise control over reaction conditions to ensure high yields and purity. Advanced techniques such as microwave-assisted synthesis have been explored to optimize the production process, making it more efficient and cost-effective.

In conclusion, Phenol, 2-chloro-3-(trifluoromethoxy) (CAS No: 653578-81-5) is a versatile compound with promising applications in various scientific domains. Its unique structure and reactivity make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new insights into its properties and potential uses, this compound is expected to play an increasingly important role in advancing modern chemistry and materials science.

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