CAS 1131605-40-7
:Methyl 5-iodo-2-(trifluoromethoxy)benzoate
Description:
Methyl 5-iodo-2-(trifluoromethoxy)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with an iodine atom and a trifluoromethoxy group. The presence of the iodine atom introduces notable reactivity, particularly in nucleophilic substitution reactions, while the trifluoromethoxy group enhances the compound's lipophilicity and may influence its electronic properties. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its potential as an intermediate in various chemical reactions. Its molecular structure suggests that it may exhibit unique physical properties, such as solubility in organic solvents and specific melting or boiling points, influenced by the presence of the halogen and trifluoromethoxy substituents. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, Methyl 5-iodo-2-(trifluoromethoxy)benzoate serves as a valuable building block in chemical synthesis.
Formula:C9H6F3IO3
InChI:InChI=1S/C9H6F3IO3/c1-15-8(14)6-4-5(13)2-3-7(6)16-9(10,11)12/h2-4H,1H3
InChI key:InChIKey=QQQSPQZNJIYGHI-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(C(OC)=O)C=C(I)C=C1
Synonyms:- Benzoic acid, 5-iodo-2-(trifluoromethoxy)-, methyl ester
- Methyl 5-iodo-2-(trifluoromethoxy)benzoate
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