CAS 861225-51-6

4-Chloro-4,4-difluoro-1-(3-methoxyphenyl)-1,3-butanedione

Description:

4-Chloro-4,4-difluoro-1-(3-methoxyphenyl)-1,3-butanedione, with the CAS number 861225-51-6, is an organic compound characterized by its unique structure that includes a butanedione core substituted with chlorine and fluorine atoms, as well as a methoxyphenyl group. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals due to its reactivity and ability to participate in various chemical reactions. The presence of halogen atoms (chlorine and fluorine) often enhances the compound's biological activity and lipophilicity, which can influence its solubility and interaction with biological systems. Additionally, the methoxy group can affect the compound's electronic properties and steric hindrance, impacting its reactivity and potential uses. As with many organic compounds, safety data should be consulted to understand its handling, toxicity, and environmental impact.

Formula: C₁₁H₉ClF₂O₃

InChI: InChI=1S/C11H9ClF2O3/c1-17-8-4-2-3-7(5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3

InChI key: InChIKey=YQVUCOYYXHIOFP-UHFFFAOYSA-N

SMILES: C(CC(C(Cl)(F)F)=O)(=O)C1=CC(OC)=CC=C1

Synonyms:

• 4-Chloro-4,4-difluoro-1-(3-methoxyphenyl)-1,3-butanedione
• 1,3-Butanedione, 4-chloro-4,4-difluoro-1-(3-methoxyphenyl)-

4-Chloro-4,4-difluoro-1-(3-methoxy-phenyl)-butane-1,3-dione

CAS: 861225-51-6

Versatile small molecule scaffold

Formula: C₁₁H₉ClF₂O₃

Purity: Min. 95%

Molecular weight: 262.63 g/mol

Ref: 3D-LJB22551