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CAS 137521-81-4

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Ethyl 3-chloro-4-fluorobenzoate

Description:
Ethyl 3-chloro-4-fluorobenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a benzene ring substituted with both a chlorine atom at the 3-position and a fluorine atom at the 4-position, along with an ethyl ester group. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate volatility and can be soluble in organic solvents such as ethanol and acetone, while being less soluble in water due to its hydrophobic aromatic structure. Ethyl 3-chloro-4-fluorobenzoate may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its chemical properties include reactivity towards nucleophiles, which can facilitate various synthetic transformations. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, this compound serves as a valuable intermediate in organic synthesis and material science.
Formula:C9H8ClFO2
InChI:InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI key:InChIKey=NYURFOITSAPYLU-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Cl)=C(F)C=C1
Synonyms:
  • 3-Chloro-4-fluorobenzoic acid ethyl ester
  • Ethyl 3-chloro-4-fluorobenzoate
  • benzoic acid,3-chloro-4-fluoro-,ethyl ester
  • Benzoic acid, 3-chloro-4-fluoro-, ethyl ester
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