CAS 1138444-91-3

1-Chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene

Description:

1-Chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene, identified by its CAS number 1138444-91-3, is an organic compound characterized by a benzene ring substituted with multiple halogen and alkyl groups. This compound features a chloro group at the para position, a difluoroethyl group at the meta position, and a fluoro group at the ortho position relative to the chloro substituent. The presence of these electronegative fluorine and chlorine atoms contributes to its chemical reactivity and polarity, influencing its solubility in various solvents. The difluoroethyl group introduces a unique steric and electronic environment, which can affect the compound's behavior in chemical reactions and its interactions with biological systems. Additionally, the compound's structure suggests potential applications in agrochemicals or pharmaceuticals, where halogenated aromatic compounds are often utilized for their biological activity. Safety and handling precautions are essential due to the presence of halogens, which can pose environmental and health risks.

Formula: C₉H₈ClF₃

InChI: InChI=1S/C9H8ClF3/c1-5-3-6(9(2,12)13)8(11)4-7(5)10/h3-4H,1-2H3

InChI key: InChIKey=ZAFIOHQUQASXQZ-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methyl-
• 1-Chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene