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CAS 872624-69-6

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Carbamic acid, [2-iodo-4-methyl-5-(trifluoromethyl)phenyl]-, 1-methylethyl ester

Description:
Carbamic acid, [2-iodo-4-methyl-5-(trifluoromethyl)phenyl]-, 1-methylethyl ester, identified by CAS number 872624-69-6, is an organic compound characterized by its carbamate functional group. This substance features a phenyl ring substituted with an iodine atom, a methyl group, and a trifluoromethyl group, which contribute to its unique chemical properties. The presence of the trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity. As an ester, it is formed from the reaction of carbamic acid and isopropanol, which may affect its solubility and reactivity. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of halogen substituents that can modulate biological interactions. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the substituents on the aromatic ring. Overall, this compound exemplifies the complexity and diversity of carbamate derivatives in organic chemistry.
Formula:C12H13F3INO2
InChI:InChI=1S/C12H13F3INO2/c1-6(2)19-11(18)17-10-5-8(12(13,14)15)7(3)4-9(10)16/h4-6H,1-3H3,(H,17,18)
InChI key:InChIKey=UXNZFDBAZQQRQU-UHFFFAOYSA-N
SMILES:N(C(OC(C)C)=O)C1=CC(C(F)(F)F)=C(C)C=C1I
Synonyms:
  • Isopropyl (2-iodo-4-methyl-5-trifluoromethylphenyl)carbamate
  • Carbamic acid, [2-iodo-4-methyl-5-(trifluoromethyl)phenyl]-, 1-methylethyl ester
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