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CAS 99500-35-3

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

Description:
Benzoic acid, 2-chloro-4-methyl-, ethyl ester, with the CAS number 99500-35-3, is an organic compound that belongs to the class of benzoate esters. It features a benzoic acid core substituted with a chloro group at the 2-position and a methyl group at the 4-position, with an ethyl ester functional group. This compound is typically a colorless to pale yellow liquid with a characteristic odor. It is moderately soluble in organic solvents and has limited solubility in water due to its hydrophobic aromatic structure. The presence of the chloro and methyl substituents can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Benzoic acid derivatives are often used in the synthesis of pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. Safety data should be consulted for handling, as halogenated compounds can exhibit toxicity and environmental persistence. Overall, this compound's unique structure imparts specific chemical properties that are valuable in synthetic chemistry.
Formula:C10H11ClO2
InChI:InChI=1S/C10H11ClO2/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3
InChI key:InChIKey=SOAVDJBEPVQOMX-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(C)C=C1
Synonyms:
  • Benzoic acid, 2-chloro-4-methyl-, ethyl ester
  • Ethyl 2-chloro-4-methylbenzoate
  • 2-Chloro-4-methylbenzoic acid ethyl ester
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