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CAS 161796-11-8

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1-Methyl 2-fluoro-1,4-benzenedicarboxylate

Description:
1-Methyl 2-fluoro-1,4-benzenedicarboxylate is an organic compound characterized by its aromatic structure, featuring a benzene ring with two carboxylate groups and a methyl and a fluorine substituent. The presence of the methyl group at the 1-position and the fluorine at the 2-position of the benzene ring influences its reactivity and physical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its state at room temperature. It is soluble in organic solvents and exhibits moderate polarity due to the carboxylate functional groups. The fluorine atom can enhance the compound's lipophilicity and may affect its biological activity. As with many aromatic compounds, it may participate in electrophilic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, 1-Methyl 2-fluoro-1,4-benzenedicarboxylate is of interest in various fields, including pharmaceuticals and materials science, due to its unique structural features.
Formula:C9H7FO4
InChI:InChI=1S/C9H7FO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChI key:InChIKey=BHCZVQVKEQQOAN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C=C(C(O)=O)C=C1
Synonyms:
  • 1-Methyl 2-fluoro-1,4-benzenedicarboxylate
  • 1,4-Benzenedicarboxylic acid, 2-fluoro-, 1-methyl ester
  • 3-Fluoro-4-methoxycarbonylbenzoic acid
  • 3-Fluoro-4-(methoxycarbonyl)benzoic acid
  • Methyl 4-carboxyl-2-fluorobenzoate
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