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CAS 15393-58-5

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

Description:
Benzoic acid, 4-chloro-2-methyl-, ethyl ester, also known as ethyl 4-chloro-2-methylbenzoate, is an organic compound characterized by its ester functional group derived from benzoic acid. It features a benzene ring substituted with a chlorine atom at the para position and a methyl group at the ortho position relative to the ester group. This compound is typically a colorless to pale yellow liquid with a pleasant, fruity odor. It is moderately soluble in organic solvents and has limited solubility in water due to its hydrophobic aromatic structure. The presence of the chlorine atom can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Benzoic acid derivatives, including this ester, are often used in the synthesis of pharmaceuticals, agrochemicals, and fragrances. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Proper storage and handling protocols are essential to ensure safety during use.
Formula:C10H11ClO2
InChI:InChI=1S/C10H11ClO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
InChI key:InChIKey=NLTONRXIPNPAGV-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C)C=C(Cl)C=C1
Synonyms:
  • o-Toluic acid, 4-chloro-, ethyl ester
  • Benzoic acid, 4-chloro-2-methyl-, ethyl ester
  • 4-Chloro-2-methylbenzoic acid ethyl ester
  • Ethyl 4-chloro-2-methylbenzoate
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