CAS 898766-98-8

1-(3-bromophenyl)-7-chloro-heptan-1-one

Description:

1-(3-Bromophenyl)-7-chloro-heptan-1-one, identified by its CAS number 898766-98-8, is an organic compound characterized by its structure, which includes a heptan backbone with a ketone functional group at one end and a bromophenyl group at the other. The presence of the bromine atom on the phenyl ring and the chlorine atom on the heptane chain contributes to its reactivity and potential applications in organic synthesis. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic alkyl chain and aromatic system, which may influence its solubility in organic solvents. Additionally, the halogen substituents can enhance its electrophilic character, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Safety data and handling precautions should be considered, as halogenated compounds can pose health risks. Overall, this compound may find applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals.

Formula: C₁₃H₁₆BrClO

InChI: InChI=1/C13H16BrClO/c14-12-7-5-6-11(10-12)13(16)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2

SMILES: C(CCCCl)CCC(=O)c1cccc(c1)Br

Synonyms:

• 1-(3-Bromophenyl)-7-chloroheptan-1-one
• 1-Heptanone, 1-(3-bromophenyl)-7-chloro-
• 1-(3-BROMOPHENYL)-7-CHLORO-1-OXOHEPTANE