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CAS 451-85-4

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1,3-dichloro-6-trifluoromethoxybenzene

Description:
1,3-Dichloro-6-trifluoromethoxybenzene, with the CAS number 451-85-4, is an aromatic compound characterized by the presence of two chlorine atoms and a trifluoromethoxy group attached to a benzene ring. The molecular structure features a benzene core, which is a stable, planar arrangement of carbon atoms with alternating double bonds, contributing to its aromaticity. The dichloro substituents are located at the 1 and 3 positions, while the trifluoromethoxy group is positioned at the 6 position, influencing the compound's reactivity and physical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature, and exhibits low solubility in water but higher solubility in organic solvents. Its unique combination of halogen substituents imparts significant chemical stability and potential applications in various fields, including agrochemicals and pharmaceuticals. Additionally, the presence of fluorine atoms enhances its lipophilicity, making it relevant in studies related to environmental persistence and bioaccumulation.
Formula:C7H4Cl2F3O
InChI:InChI=1S/C7H3Cl2F3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
SMILES:c1cc(c(cc1Cl)Cl)OC(F)(F)F
Synonyms:
  • 1,3-Dichloro-6-(trifluoromethoxy)benzene
  • 2,4-Dichloro-1-(trifluoromethoxy)benzene
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