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CAS 167758-87-4

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Benzoic acid, 2-chloro-4-fluoro-, ethyl ester

Description:
Benzoic acid, 2-chloro-4-fluoro-, ethyl ester, with the CAS number 167758-87-4, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid backbone substituted with a chlorine atom at the 2-position and a fluorine atom at the 4-position of the aromatic ring, along with an ethyl ester group. It is typically a colorless to pale yellow liquid with a distinctive odor. The presence of halogen substituents can influence its reactivity and solubility, making it of interest in various chemical applications, including synthesis and as an intermediate in organic chemistry. The compound may exhibit moderate to low solubility in water but is generally soluble in organic solvents. Its chemical properties, such as acidity and reactivity, can be affected by the electron-withdrawing effects of the chlorine and fluorine atoms. Safety data should be consulted for handling and potential hazards, as halogenated compounds can pose environmental and health risks.
Formula:C9H8ClFO2
InChI:InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3
InChI key:InChIKey=MJYAXUKZBQZTTQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(F)C=C1
Synonyms:
  • Benzoic Acid, 2-Chloro-4-Fluoro-, Ethyl Ester
  • Ethyl 2-chloro-4-fluorobenzoate
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