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CAS 866625-11-8

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1,1-Dimethylethyl 3-fluoro-4-methylbenzoate

Description:
1,1-Dimethylethyl 3-fluoro-4-methylbenzoate, with the CAS number 866625-11-8, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoate structure where a 3-fluoro and a 4-methyl substituent are present on the aromatic ring, contributing to its unique chemical properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and solubility in various solvents. Generally, compounds of this nature may exhibit moderate polarity due to the ester linkage, while the fluorine atom can impart distinctive electronic properties, potentially affecting the compound's reactivity and interaction with biological systems. The compound may be utilized in various applications, including pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. As with many organic compounds, safety and handling precautions should be observed, given the potential for toxicity or environmental impact.
Formula:C12H15FO2
InChI:InChI=1S/C12H15FO2/c1-8-5-6-9(7-10(8)13)11(14)15-12(2,3)4/h5-7H,1-4H3
InChI key:InChIKey=OJDNXMUILZNVEA-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(F)=C(C)C=C1
Synonyms:
  • 3-Fluoro-4-methylbenzoic acid tert-butyl ester
  • Benzoic acid, 3-fluoro-4-methyl-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-fluoro-4-methylbenzoate
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