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CAS 1809168-66-8

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Methyl 4-chloro-3-(1-methylethyl)benzoate

Description:
Methyl 4-chloro-3-(1-methylethyl)benzoate, with the CAS number 1809168-66-8, is an organic compound characterized by its ester functional group and aromatic structure. It features a benzoate moiety, where a methyl ester is attached to a benzene ring that has a chlorine atom and an isopropyl group in the para and meta positions, respectively. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its potential applications in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. The presence of the chlorine atom enhances its reactivity, making it useful in substitution reactions. Additionally, the isopropyl group contributes to its hydrophobic characteristics, influencing its solubility in organic solvents. Safety data should be consulted for handling, as it may pose health risks if inhaled or ingested. Overall, Methyl 4-chloro-3-(1-methylethyl)benzoate is a compound of interest in both industrial and research settings.
Formula:C11H13ClO2
InChI:InChI=1S/C11H13ClO2/c1-7(2)9-6-8(11(13)14-3)4-5-10(9)12/h4-7H,1-3H3
InChI key:InChIKey=UELQFDOQTGGERT-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C(C)C)=C(Cl)C=C1
Synonyms:
  • Benzoic acid, 4-chloro-3-(1-methylethyl)-, methyl ester
  • Methyl 4-chloro-3-(1-methylethyl)benzoate
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