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CAS 1446016-75-6

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4-Chloro-2-methylphenyl 1,1,1-trifluoromethanesulfonate

Description:
4-Chloro-2-methylphenyl 1,1,1-trifluoromethanesulfonate, with the CAS number 1446016-75-6, is an organic compound characterized by the presence of a chloro and a methyl group on a phenyl ring, along with a trifluoromethanesulfonate functional group. This compound typically exhibits properties associated with sulfonate esters, such as high reactivity, particularly in nucleophilic substitution reactions. The trifluoromethanesulfonate moiety enhances its electrophilicity, making it a useful intermediate in organic synthesis, especially in the formation of carbon-carbon bonds. The presence of the chlorine atom can influence the compound's reactivity and solubility in various solvents. Additionally, the trifluoromethyl group contributes to the compound's stability and lipophilicity, which can affect its behavior in biological systems. Overall, this compound is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals due to its unique structural features and reactivity profile.
Formula:C8H6ClF3O3S
InChI:InChI=1S/C8H6ClF3O3S/c1-5-4-6(9)2-3-7(5)15-16(13,14)8(10,11)12/h2-4H,1H3
InChI key:InChIKey=GECYAQNQPGLIHX-UHFFFAOYSA-N
SMILES:O(S(C(F)(F)F)(=O)=O)C1=C(C)C=C(Cl)C=C1
Synonyms:
  • Methanesulfonic acid, 1,1,1-trifluoro-, 4-chloro-2-methylphenyl ester
  • 4-Chloro-2-methylphenyl triflate
  • 4-Chloro-2-methylphenyl 1,1,1-trifluoromethanesulfonate
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