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CAS 6951-08-2

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1,3-Benzodioxole-5-carboxylic acid, ethyl ester

Description:
1,3-Benzodioxole-5-carboxylic acid, ethyl ester, also known by its CAS number 6951-08-2, is an organic compound characterized by its benzodioxole structure, which consists of a fused benzene and dioxole ring system. This compound features a carboxylic acid functional group that is esterified with an ethyl group, contributing to its ester characteristics. It is typically a colorless to pale yellow liquid or solid, depending on the specific conditions and purity. The compound is known for its potential applications in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. Its chemical properties include moderate solubility in organic solvents and limited solubility in water, which is common for many esters. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C10H10O4
InChI:InChI=1S/C10H10O4/c1-2-12-10(11)7-3-4-8-9(5-7)14-6-13-8/h3-5H,2,6H2,1H3
InChI key:InChIKey=JGHXNKLHSHDHDG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C2C(=CC1)OCO2
Synonyms:
  • NSC 49217
  • Piperonylic acid, ethyl ester
  • Ethyl 3,4-(methylenedioxy)benzoate
  • 1,3-Benzodioxole-5-carboxylic acid, ethyl ester
  • Ethyl piperonylate
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