CAS 114467-76-4

1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)benzene

Description:

1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)benzene, with the CAS number 114467-76-4, is an organic compound characterized by the presence of a bromodifluoromethyl group and a tert-butyl group attached to a benzene ring. This compound features a bromine atom and two fluorine atoms, which contribute to its unique reactivity and physical properties. The tert-butyl group enhances its hydrophobic character, making it less soluble in water but more soluble in organic solvents. The presence of halogens, particularly bromine and fluorine, can influence the compound's stability, reactivity, and potential applications in various chemical reactions, including electrophilic aromatic substitution. Additionally, the compound may exhibit interesting properties such as increased lipophilicity and potential biological activity, which could be relevant in fields like medicinal chemistry or agrochemicals. Safety and handling considerations are important due to the presence of halogens, which can pose environmental and health risks. Overall, this compound is of interest for its unique structural features and potential applications in synthetic chemistry.

Formula: C₁₁H₁₃BrF₂

InChI: InChI=1S/C11H13BrF2/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h4-7H,1-3H3

InChI key: InChIKey=YWCLHRSEKXJCHA-UHFFFAOYSA-N

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

Synonyms:

• 1-(Bromodifluoromethyl)-4-(tert-butyl)benzene
• 1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)benzene
• Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)-