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CAS 103440-52-4

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Methyl 2-iodo-5-methylbenzoate

Description:
Methyl 2-iodo-5-methylbenzoate is an organic compound characterized by its aromatic structure, which includes a methyl ester functional group and an iodine substituent on the benzene ring. This compound features a methyl group at the 5-position and an iodine atom at the 2-position of the benzoate moiety, contributing to its unique reactivity and properties. It is typically a colorless to pale yellow liquid with a distinct odor. The presence of the iodine atom makes it a potential candidate for nucleophilic substitution reactions, while the ester group can undergo hydrolysis or transesterification under appropriate conditions. Methyl 2-iodo-5-methylbenzoate is soluble in organic solvents such as ethanol and dichloromethane but has limited solubility in water due to its hydrophobic aromatic structure. This compound is often used in synthetic organic chemistry as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Safety precautions should be observed when handling this compound, as iodine-containing substances can be hazardous.
Formula:C9H9IO2
InChI:InChI=1S/C9H9IO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChI key:InChIKey=DHYMLHOXGMUIDZ-UHFFFAOYSA-N
SMILES:Cc1ccc(c(c1)C(=O)OC)I
Synonyms:
  • 2-Iodo-5-methylbenzoic acid methyl ester
  • Benzoic Acid, 2-Iodo-5-Methyl-, Methyl Ester
  • Methyl 6-iodo-m-toluate
  • m-Toluic acid, 6-iodo-, methyl ester
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