CAS 1138445-21-2

1-(1,1-Difluoroethyl)-3-fluoro-5-(trifluoromethyl)benzene

Description:

1-(1,1-Difluoroethyl)-3-fluoro-5-(trifluoromethyl)benzene, identified by its CAS number 1138445-21-2, is an organic compound characterized by a benzene ring substituted with multiple fluorinated groups. The presence of a trifluoromethyl group (-CF3) and a difluoroethyl group (-CHF2) contributes to its unique chemical properties, including increased lipophilicity and potential reactivity. This compound is likely to exhibit significant volatility and stability due to the strong C-F bonds, which are known for their resistance to oxidation and hydrolysis. The fluorine atoms enhance the compound's electronegativity, potentially influencing its interactions with other molecules, making it of interest in various applications, including pharmaceuticals and agrochemicals. Additionally, the specific arrangement of the substituents on the benzene ring can affect its electronic properties, such as electron density distribution, which may impact its reactivity in electrophilic aromatic substitution reactions. Overall, this compound exemplifies the characteristics typical of fluorinated organic compounds, including enhanced chemical stability and unique reactivity profiles.

Formula: C₉H₆F₆

InChI: InChI=1S/C9H6F6/c1-8(11,12)5-2-6(9(13,14)15)4-7(10)3-5/h2-4H,1H3

InChI key: InChIKey=SCMLASWVDZHJJU-UHFFFAOYSA-N

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

Synonyms:

• 1-(1,1-Difluoroethyl)-3-fluoro-5-(trifluoromethyl)benzene
• Benzene, 1-(1,1-difluoroethyl)-3-fluoro-5-(trifluoromethyl)-