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CAS 2668-24-8

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4,5,6-Trichloroguaiacol

Description:
4,5,6-Trichloroguaiacol is an organic compound characterized by its chlorinated phenolic structure. It is derived from guaiacol, with three chlorine atoms substituted at the 4, 5, and 6 positions of the aromatic ring. This compound typically appears as a white to off-white crystalline solid and is known for its antimicrobial properties, making it useful in various applications, including as a preservative and in the formulation of certain pharmaceuticals. Its molecular formula reflects the presence of chlorine atoms, which significantly influence its chemical reactivity and stability. 4,5,6-Trichloroguaiacol is soluble in organic solvents but has limited solubility in water. The compound is also of interest in environmental chemistry due to its potential formation as a byproduct in the chlorination of natural phenolic compounds. Safety considerations are important, as chlorinated compounds can exhibit toxicity and environmental persistence. Proper handling and disposal methods should be employed to mitigate any risks associated with its use.
Formula:C7H5Cl3O2
InChI:InChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3
InChI key:InChIKey=NIAJPNQTKGWEOI-UHFFFAOYSA-N
SMILES:O(C)C1=C(O)C(Cl)=C(Cl)C(Cl)=C1
Synonyms:
  • Phenol, 2,3,4-trichloro-6-methoxy-
  • 4,5,6-Trichloroguaiacol
  • 2-Methoxy-4,5,6-trichlorophenol
  • 2,3,4-Trichloro-6-methoxyphenol
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