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CAS 660416-38-6

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Benzoic acid, 3-fluoro-5-methyl-, methyl ester

Description:
Benzoic acid, 3-fluoro-5-methyl-, methyl ester, with the CAS number 660416-38-6, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoic acid backbone with a methyl ester group and two substituents: a fluorine atom at the 3-position and a methyl group at the 5-position of the aromatic ring. The presence of the fluorine atom can influence the compound's reactivity and polarity, potentially enhancing its lipophilicity compared to non-fluorinated analogs. The methyl ester group contributes to its solubility in organic solvents and may affect its biological activity. Typically, compounds like this are studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure of the compound. Safety data and handling precautions should be consulted due to the potential hazards associated with chemical substances.
Formula:C9H9FO2
InChI:InChI=1S/C9H9FO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChI key:InChIKey=DBJVSFWNQPRBGK-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C)=CC(F)=C1
Synonyms:
  • Benzoic Acid, 3-Fluoro-5-Methyl-, Methyl Ester
  • Methyl 3-fluoro-5-methylbenzoate
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