CAS 859212-59-2
:Benzoic acid, 3-iodo-4-methyl-, ethyl ester
Description:
Benzoic acid, 3-iodo-4-methyl-, ethyl ester, identified by the CAS number 859212-59-2, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid backbone with a methyl group and an iodine atom positioned at the 3 and 4 positions of the aromatic ring, respectively. The presence of the iodine atom can influence the compound's reactivity and physical properties, such as its solubility and boiling point. As an ethyl ester, it is typically more lipophilic than its corresponding acid, which can affect its behavior in biological systems and its applications in organic synthesis. The compound may exhibit antimicrobial properties, making it of interest in various fields, including pharmaceuticals and agrochemicals. Its synthesis often involves esterification reactions, and it can be analyzed using techniques such as NMR and mass spectrometry to confirm its structure and purity. Overall, this compound represents a unique combination of functional groups that can be utilized in diverse chemical applications.
Formula:C10H11IO2
InChI:InChI=1S/C10H11IO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI key:InChIKey=KMIVUJKEQAPRIH-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(I)=C(C)C=C1
Synonyms:- Benzoic acid, 3-iodo-4-methyl-, ethyl ester
- Ethyl 3-iodo-4-methylbenzoate
- 3-Iodo-4-methylbenzoic acid ethyl ester
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