CAS 898787-65-0

1,1,1-Trifluoro-3-(2-iodophenyl)-2-propanone

Description:

1,1,1-Trifluoro-3-(2-iodophenyl)-2-propanone, with the CAS number 898787-65-0, is an organic compound characterized by its trifluoromethyl and iodo substituents, which significantly influence its chemical properties. This compound features a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances its lipophilicity and can affect its biological activity, making it of interest in medicinal chemistry. The iodo substituent can facilitate various reactions, including nucleophilic substitutions and coupling reactions, which are valuable in the synthesis of more complex molecules. Additionally, the compound's structure suggests potential uses in agrochemicals or pharmaceuticals, where halogenated compounds often exhibit unique properties. Its stability and reactivity profile would be influenced by the electronic effects of the fluorine and iodine atoms, making it a subject of interest for further research in synthetic organic chemistry and material science. Safety and handling precautions should be observed due to the presence of halogens, which can pose health and environmental risks.

Formula: C₉H₆F₃IO

InChI: InChI=1S/C9H6F3IO/c10-9(11,12)8(14)5-6-3-1-2-4-7(6)13/h1-4H,5H2

InChI key: InChIKey=VVPSEKBWTADVEX-UHFFFAOYSA-N

SMILES: C(C(C(F)(F)F)=O)C1=C(I)C=CC=C1

Synonyms:

• 1,1,1-Trifluoro-3-(2-iodophenyl)-2-propanone
• 2-Propanone, 1,1,1-trifluoro-3-(2-iodophenyl)-