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CAS 220464-68-6

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Benzoic acid, 3-(bromomethyl)-4-chloro-, methyl ester

Description:
Benzoic acid, 3-(bromomethyl)-4-chloro-, methyl ester, with the CAS number 220464-68-6, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified by the presence of a bromomethyl group and a chloro substituent. This compound typically exhibits properties associated with both aromatic and carboxylic acid derivatives, such as moderate solubility in organic solvents and potential reactivity due to the presence of halogen substituents. The bromomethyl and chloro groups can influence its reactivity, making it a useful intermediate in organic synthesis, particularly in the formation of more complex molecules. The methyl ester functional group suggests that it can undergo hydrolysis to yield benzoic acid and methanol under appropriate conditions. Additionally, the presence of halogens may impart unique characteristics, such as increased electrophilicity, which can be exploited in various chemical reactions. Overall, this compound is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals.
Formula:C9H8BrClO2
InChI:InChI=1S/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI key:InChIKey=OXXGTEJKZZKAJV-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(CBr)=C(Cl)C=C1
Synonyms:
  • Benzoic Acid, 3-(Bromomethyl)-4-Chloro-, Methyl Ester
  • Methyl 3-(bromomethyl)-4-chlorobenzoate
  • Methyl 3-bromomethyl-4-chlorobenzoate
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