261762-51-0 | 3-CHLORO-2,6-DIFLUOROPHENOL 97

CAS:261762-51-0 | 3-CHLORO-2,6-DIFLUOROPHENOL 97,Description

3-Chloro-2,6-difluorophenol is a chemical compound with the molecular formula C6H3ClF2O and a molecular weight of 164.54. It is a solid at room temperature.

Molecular Structure Analysis

The molecular structure of 3-Chloro-2,6-difluorophenol consists of a phenol group with chlorine and fluorine substituents. The InChI code for this compound is 1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.

Scientific Research Applications

• Chemical Dynamics and Molecular Structure

  • Intramolecular Halogen Stabilization : 2,6-Bis(2,6-difluorophenyl)phenyldimethylsilanium ion shows a C(2) trigonal-bipyramidal geometry with fluorines coordinating to apical positions. This exhibits a disrotatory gearing mechanism with correlated dynamics influenced by coordinating halogens (Romanato et al., 2010).
  • Molecular Structure Analysis : The structural analysis of 2,6-difluorophenol derivatives reveals their geometrical and vibrational properties, which are significant in understanding hydrogen-bonded systems (Macsári et al., 1997) .

• Synthesis and Polymerization

  • Crystalline Poly(phenylene oxide) Synthesis : Oxidative polymerization of 2,6-difluorophenol using Fe-salen complex and hydrogen peroxide enables the synthesis of partly soluble polymers, notably crystalline poly(phenylene oxide) (Ikeda et al., 2000).

• Bioisosteric Applications

  • Bioisostere of Carboxylic Acid : The 2,6-difluorophenol moiety in compounds demonstrates potential as a lipophilic bioisostere for carboxylic acids, expanding the possibilities in drug candidate design (Qiu et al., 1999).

• Spectroscopy and Analysis

  • Vibrational Spectra and Hydrogen Bonding : Studies on vibrational spectra of 2,6-difluorophenol, especially in different solvents, provide insights into hydrogen bonding effects and solvent dependences (Gonjo et al., 2011).

• Electrochemistry and Photophysics

  • Fluoride Binding and Redox Properties : Phlorin macrocycles with 2,6-difluorophenyl groups display unique redox and photochemical properties, including cooperative fluoride binding, which is significant in the study of electron transfer and light absorption (Pistner et al., 2013).

• Environmental Applications

  • Dechlorination in Bioelectrochemical Systems : Biological reduction of chlorinated organic compounds like 2,6-dichlorophenol can be stimulated using electric current, highlighting potential environmental remediation applications (Skadberg et al., 1999).

Safety And Hazards

3-Chloro-2,6-difluorophenol is classified as acutely toxic and can cause skin irritation, serious eye irritation, and respiratory irritation. It is harmful if swallowed, in contact with skin, or if inhaled. It is also toxic to aquatic life with long-lasting effects.

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