1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone | CAS No. 1215994-75-4

1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone

Basic Information

CAS Number

1215994-75-4

Molecular Formula

C9H7BrF2O2

Molecular Weight

265.05 g/mol

AD

Basic Physical Properties

Boiling Point

292.4±40.0 °C(Predicted)

Density

1.537±0.06 g/cm3(Predicted)

CC(=O)c1cc(Br)ccc1OC(F)F

InChI

InChI=1S/C9H7BrF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-4,9H,1H3

InChIKey

SLMZBPBIGSVKEU-UHFFFAOYSA-N

LogP

3.2531000000000008

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

  • 1-[5-bromo-2-(difluoromethoxy)phenyl]ethan-1-one
  • Ethanone, 1-[5-bromo-2-(difluoromethoxy)phenyl]-
  • 5'-Bromo-2'-difluoromethoxyacetophenone
  • 1-5-bromo-2-(difluoromethoxy)phenylethan-1-one

MDL Number

MFCD13188449

Customs Code

2914500090

FAQ

What are the physical and chemical properties of 1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4)?

1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4) is a crystalline solid with a molecular weight of approximately 313.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like dichloromethane and ethanol. The compound shows moderate reactivity, especially towards nucleophiles and reducing agents. It exhibits good stability under normal conditions but is sensitive to strong bases and reducing agents.

How is 1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4) typically synthesized?

1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4) is usually synthesized by reacting 2-(difluoromethoxy)benzaldehyde with bromoacetyl chloride in the presence of a base such as sodium hydride. This method ensures high selectivity and yield. The reaction conditions include a dry, anhydrous solvent like dichloromethane and is typically carried out at room temperature.

What industries use 1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4)?

1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4) is primarily used in pharmaceutical research due to its functional groups that can be used for medicinal chemistry and drug synthesis. It also finds applications in the synthesis of organic intermediates for polymer chemistry, where its bromine and fluorine functionalities can be further modified. Additionally, it can be used in the development of new sensor materials and in the preparation of certain semiconducting compounds.

What precautions should be taken when handling 1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4)?

When handling 1-[5-Bromo-2-(difluoromethoxy)phenyl]ethanone (CAS: 1215994-75-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area, preferably in a fume hood, to avoid exposure to air. Spills should be treated immediately with water and collected for proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed precautions and emergency procedures.

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