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CAS 444915-76-8

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Methyl 4-(difluoromethyl)benzoate

Description:
Methyl 4-(difluoromethyl)benzoate is an organic compound characterized by its ester functional group, specifically a methyl ester derived from benzoic acid. The structure features a benzene ring substituted at the para position with a difluoromethyl group, which significantly influences its chemical properties. This compound is typically a colorless to pale yellow liquid with a distinctive aromatic odor. It is known for its moderate polarity due to the presence of both the ester and difluoromethyl groups, which can affect its solubility in various solvents. Methyl 4-(difluoromethyl)benzoate may exhibit interesting reactivity patterns, particularly in nucleophilic substitution reactions, due to the electron-withdrawing nature of the difluoromethyl group. Additionally, it may have applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C9H8F2O2
InChI:InChI=1S/C9H8F2O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3
InChI key:InChIKey=CTUNEFJJWFAGEP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC=C(C(F)F)C=C1
Synonyms:
  • Methyl 4-(difluoromethyl)benzoate
  • Benzoic acid, 4-(difluoromethyl)-, methyl ester
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