Description

Methyl 2-chloro-6-iodobenzoate (CAS: 1261559-47-0) is a high-purity organic compound with the molecular formula C₈H₆ClIO₂. This versatile benzoate derivative is widely utilized in pharmaceutical and agrochemical research as a key intermediate for synthesizing complex molecules. The presence of both chloro and iodo substituents on the aromatic ring makes it an excellent substrate for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for medicinal chemistry, material science, and catalysis research, this compound is available in quantities ranging from milligrams to kilograms to suit your laboratory needs.

Properties

• CAS Number: 1261559-47-0
• Complexity: 174
• IUPAC Name: methyl 2-chloro-6-iodo-benzoate
• InChI: InChI=1S/C8H6ClIO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
• InChI Key: LYTZVCICIVVFRE-UHFFFAOYSA-N
• Exact Mass: 295.91010
• Molecular Formula: C8H6ClIO2
• Molecular Weight: 296.49
• SMILES: COC(=O)C1=C(C=CC=C1I)Cl
• Topological: 26.3
• Monoisotopic Mass: 295.91010
• Synonyms: Methyl 2-chloro-6-iodobenzoate, 1261559-47-0, 2-Chloro-6-iodo-benzoic acid methyl ester, MFCD18398956, Methyl2-chloro-6-iodobenzoate, SCHEMBL19418807, AKOS022185834, 2-Chloro-6-iodobenzoic acid methyl ester, CS-16826, DB-198458, CS-0105522, D76547

Methyl 2-chloro-6-iodobenzoate serves as a critical building block in organic synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and agrochemicals. Its reactive halogen sites enable efficient palladium-catalyzed cross-coupling reactions for constructing biaryl scaffolds. Researchers also employ it in ligand design for transition metal catalysts. The compound’s stability and solubility in common organic solvents (e.g., DMF, THF) make it convenient for diverse reaction conditions.

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