CAS 898766-94-4

1-(2-Bromophenyl)-7-chloro-1-heptanone

Description:

1-(2-Bromophenyl)-7-chloro-1-heptanone, identified by its CAS number 898766-94-4, is an organic compound characterized by its unique structure, which includes a heptanone backbone substituted with a bromophenyl group and a chlorine atom. This compound typically exhibits properties associated with both halogenated and ketone functionalities, such as moderate polarity and potential reactivity due to the presence of the bromine and chlorine substituents. The bromophenyl moiety can influence its electronic properties, potentially enhancing its reactivity in electrophilic aromatic substitution reactions. Additionally, the heptanone structure contributes to its hydrophobic characteristics, which may affect its solubility in various solvents. The compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential biological activity stemming from the halogen substituents. Safety and handling precautions should be observed, as halogenated compounds can pose health risks and environmental concerns.

Formula: C₁₃H₁₆BrClO

InChI: InChI=1S/C13H16BrClO/c14-12-8-5-4-7-11(12)13(16)9-3-1-2-6-10-15/h4-5,7-8H,1-3,6,9-10H2

InChI key: InChIKey=GDSFJIQQJZSUTE-UHFFFAOYSA-N

SMILES: C(CCCCCCCl)(=O)C1=C(Br)C=CC=C1

Synonyms:

• 1-Heptanone, 1-(2-bromophenyl)-7-chloro-
• 1-(2-Bromophenyl)-7-chloro-1-heptanone