CAS 898761-06-3

5-Chloro-1-(4-fluoro-3-methylphenyl)-1-pentanone

Description:

5-Chloro-1-(4-fluoro-3-methylphenyl)-1-pentanone is an organic compound characterized by its ketone functional group and the presence of halogen substituents. The molecular structure features a pentanone backbone, which is a five-carbon chain terminating in a carbonyl group (C=O). The compound includes a chloro group at the fifth carbon and a 4-fluoro-3-methylphenyl group attached to the first carbon, indicating the presence of both fluorine and chlorine atoms in its structure. This combination of substituents can influence the compound's physical and chemical properties, such as solubility, boiling point, and reactivity. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The presence of halogens often enhances lipophilicity, which can affect the compound's interaction with biological systems. Safety and handling precautions are essential due to the potential toxicity associated with halogenated compounds. As with any chemical, proper characterization through techniques such as NMR, IR spectroscopy, and mass spectrometry is crucial for confirming its identity and purity.

Formula: C₁₂H₁₄ClFO

InChI: InChI=1S/C12H14ClFO/c1-9-8-10(5-6-11(9)14)12(15)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3

InChI key: InChIKey=WKGWNOVXFVNEJY-UHFFFAOYSA-N

SMILES: C(CCCCCl)(=O)C1=CC(C)=C(F)C=C1

Synonyms:

• 5-Chloro-1-(4-fluoro-3-methylphenyl)-1-pentanone
• 1-Pentanone, 5-chloro-1-(4-fluoro-3-methylphenyl)-

5-chloro-1-(4-fluoro-3-methylphenyl)-1-oxopentane

CAS: 898761-06-3

Formula: C₁₂H₁₄ClFO

Purity: 97.0%

Molecular weight: 228.69

Ref: 10-F206906