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CAS 128800-37-3

:

Benzoic acid, 2-chloro-4,5-difluoro-, ethyl ester

Description:
Benzoic acid, 2-chloro-4,5-difluoro-, ethyl ester, with the CAS number 128800-37-3, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with a chloro group and two fluorine atoms at the 2, 4, and 5 positions, which significantly influence its chemical properties and reactivity. The presence of these halogen substituents can enhance the compound's lipophilicity and alter its acidity compared to unsubstituted benzoic acid. As an ethyl ester, it is likely to exhibit moderate volatility and solubility in organic solvents, making it useful in various applications, including as a potential intermediate in organic synthesis or in agrochemical formulations. The specific electronic and steric effects of the chloro and difluoro groups may also impart unique characteristics, such as increased stability or altered reactivity in chemical reactions. Safety data should be consulted for handling and exposure guidelines, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact.
Formula:C9H7ClF2O2
InChI:InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChI key:InChIKey=OFACIKFWNCTFCU-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(F)C(F)=C1
Synonyms:
  • Ethyl 2-chloro-4,5-difluorobenzoate
  • Benzoic acid, 2-chloro-4,5-difluoro-, ethyl ester
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