CAS 112290-03-6

1-Chloro-4,5-difluoro-2-(trifluoromethyl)benzene

Description:

1-Chloro-4,5-difluoro-2-(trifluoromethyl)benzene, with the CAS number 112290-03-6, is an aromatic halogenated compound characterized by the presence of multiple fluorine and chlorine substituents on a benzene ring. This compound features a chloro group at the first position, two fluorine atoms at the fourth and fifth positions, and a trifluoromethyl group at the second position of the benzene ring. The presence of these electronegative halogen atoms significantly influences its chemical properties, including increased lipophilicity and potential reactivity in nucleophilic substitution reactions. The compound is likely to exhibit high thermal stability and may be resistant to degradation, making it of interest in various industrial applications, including as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, the unique arrangement of substituents can impart specific electronic and steric effects, which may affect its behavior in chemical reactions and interactions with biological systems. Safety and handling precautions are essential due to the potential toxicity associated with halogenated compounds.

Formula: C₇H₂ClF₅

InChI: InChI=1S/C7H2ClF5/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H

InChI key: InChIKey=IRKLZIBIWDAFDS-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-4,5-difluorobenzotrifluoride
• 1-Chloro-4,5-difluoro-2-(trifluoromethyl)benzene
• Benzene, 1-chloro-4,5-difluoro-2-(trifluoromethyl)-