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CAS 773873-95-3

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2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester

Description:
2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester is an organic compound characterized by its unique structure, which includes a benzodioxole moiety substituted with two fluorine atoms and a carboxylic acid methyl ester functional group. This compound typically exhibits properties associated with both aromatic and ester functionalities, such as moderate solubility in organic solvents and potential reactivity due to the presence of the carboxylic acid group. The difluorination introduces electronegative fluorine atoms, which can influence the compound's electronic properties, stability, and reactivity, making it of interest in various chemical applications, including medicinal chemistry and materials science. The presence of the dioxole ring contributes to its aromatic character, potentially affecting its interactions with biological systems or other chemical entities. As with many fluorinated compounds, it may exhibit unique physical and chemical properties, such as altered boiling and melting points compared to non-fluorinated analogs. Safety and handling precautions should be observed due to the potential reactivity and toxicity of fluorinated compounds.
Formula:C9H6F2O4
InChI:InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChI key:InChIKey=MYEOSTSAKCEVAS-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C2C(OC(F)(F)O2)=CC1
Synonyms:
  • 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, methyl ester
  • 2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester
  • Methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate
  • Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
  • 2,2-Difluoro-benzo[1,3]dioxole-5-carboxylic acid methyl ester
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