Description

Ethyl 5-chloro-2-methylbenzoate (CAS No. 56427-54-4) is a high-purity organic ester with the molecular formula C₁₀H₁₁ClO₂. This compound is a versatile benzoate derivative featuring a chloro-substituted aromatic ring and an ethyl ester functional group, making it valuable for synthetic and analytical applications. With a molecular weight of 198.65 g/mol, it is commonly utilized as an intermediate in pharmaceutical, agrochemical, and material science research. Its well-defined structure ensures consistent reactivity in esterification, coupling, and functionalization reactions. Available in >95% purity (GC), this product is rigorously tested for quality, including NMR and HPLC validation, to meet the stringent demands of research and industrial applications. Suitable for use under controlled conditions, it is supplied in sealed, light-resistant packaging to ensure stability.

Properties

• CAS Number: 56427-54-4
• Complexity: 182
• IUPAC Name: ethyl 5-chloro-2-methyl-benzoate
• InChI: InChI=1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
• InChI Key: UQFYMEQTOWLWHW-UHFFFAOYSA-N
• Exact Mass: 198.0447573
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.64
• SMILES: CCOC(=O)C1=C(C=CC(=C1)Cl)C
• Topological: 26.3
• Monoisotopic Mass: 198.0447573
• Synonyms: 56427-54-4, Benzoic acid, 5-chloro-2-methyl-, ethyl ester, Ethyl 5-chloro-2-methylbenzoate, 5-CHLORO-2-METHYLBENZOIC ACID ETHYL ESTER, MFCD11226198, ethyl 4-chloro-o-toluate, SCHEMBL549144, Ethyl5-chloro-2-methylbenzoate, SCHEMBL7247931, DTXSID80611815, AKOS006307224, DS-8795, SY282017, DB-317576, CS-0151845

Application

Ethyl 5-chloro-2-methylbenzoate serves as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its reactive ester group enables facile derivatization for building complex molecules. Researchers also employ it in material science for designing specialty polymers and coatings. The chloro and methyl substitutions enhance its utility in cross-coupling reactions, such as Suzuki-Miyaura or Heck reactions.

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