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CAS 1131614-46-4

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Ethyl 3-iodo-4-propoxybenzoate

Description:
Ethyl 3-iodo-4-propoxybenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features an ethyl group and a propoxy group attached to a benzene ring that also contains an iodine substituent at the 3-position. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and dichloromethane but may have limited solubility in water due to its hydrophobic characteristics. Ethyl 3-iodo-4-propoxybenzoate can be utilized in various chemical reactions, including nucleophilic substitutions and as an intermediate in the synthesis of more complex organic molecules. Its iodine atom can serve as a leaving group, making it a valuable compound in medicinal chemistry and material science. Safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled, and appropriate storage conditions should be maintained to ensure stability.
Formula:C12H15IO3
InChI:InChI=1S/C12H15IO3/c1-3-7-16-11-6-5-9(8-10(11)13)12(14)15-4-2/h5-6,8H,3-4,7H2,1-2H3
InChI key:InChIKey=FNGJFOOMTFNWCB-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(I)=C(OCCC)C=C1
Synonyms:
  • Benzoic acid, 3-iodo-4-propoxy-, ethyl ester
  • Ethyl 3-iodo-4-propoxybenzoate
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