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CAS 54589-54-7

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Benzoic acid, 3-(chloromethyl)-, ethyl ester

Description:
Benzoic acid, 3-(chloromethyl)-, ethyl ester, with the CAS number 54589-54-7, is an organic compound characterized by its ester functional group and a chloromethyl substituent on the benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the chloromethyl group can impart reactivity, making it a potential intermediate in organic synthesis, particularly in the formation of more complex molecules. Benzoic acid derivatives, including this compound, are often studied for their antimicrobial properties and applications in pharmaceuticals, agrochemicals, and as flavoring agents. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and handling protocols are essential to mitigate risks associated with exposure.
Formula:C10H11ClO2
InChI:InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3
InChI key:InChIKey=ZJNVMXXFCNKXLT-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(CCl)=CC=C1
Synonyms:
  • 3-(Chloromethyl)benzoic acid ethyl ester
  • Benzoic acid, 3-(chloromethyl)-, ethyl ester
  • Ethyl 3-(Chloromethyl)benzoate
  • Ethyl m-(chloromethyl)benzoate
  • Ethyl 3-chloromethylbenzoate
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