1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone | CAS No. 1048384-87-7

1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone

Basic Information

CAS Number

1048384-87-7

Molecular Formula

C8H5BrF3NO

Molecular Weight

268.03 g/mol

AD

Basic Physical Properties

CC(=O)C1=C(C=C(C=N1)C(F)(F)F)Br

InChI

InChI=1S/C8H5BrF3NO/c1-4(14)7-6(9)2-5(3-13-7)8(10,11)12/h2-3H,1H3

InChIKey

OJRLRMIXUHYYMO-UHFFFAOYSA-N

LogP

3.065500000000001

Topological Polar Surface Area

29.96 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

231

Synonyms & References

English

  • 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone
  • 1-[3-bromo-5-(trifluoromethyl)pyridin-2-yl]ethanone
  • A936685
  • 1-[3-Bromo-5-(trifluoromethyl)pyridin-2-yl]ethan-1-one
  • DTXSID40735743
  • 2-acetyl-3-bromo-5-(trifluoromethyl)pyridine
  • SCHEMBL707954
  • DB-092921
  • F81824
  • 1048384-87-7
  • 1-(3-bromo-5-(trifluoromethyl)pyridin-2-yl)ethan-1-one

MDL Number

MFCD18258234

FAQ

What are the physical and chemical properties of 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone (CAS: 1048384-87-7)?

1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone is a crystalline solid with a molecular weight of approximately 338.04 g/mol. It has low water solubility and moderate solubility in organic solvents like dichloromethane and acetonitrile. The compound exhibits moderate reactivity, particularly towards nucleophiles, and is stable under normal storage conditions.

How is 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone (CAS: 1048384-87-7) typically synthesized?

1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone is typically synthesized using electrophilic aromatic substitution. The reaction involves bromination of 5-(trifluoromethyl)pyridine followed by nucleophilic substitution with ethanoyl chloride. Common catalysts include triphenylphosphine and 4-dimethylaminopyridine, yielding a product with high selectivity and good to moderate yield.

What industries use 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone (CAS: 1048384-87-7)?

1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone is primarily used in the pharmaceutical industry for the synthesis of medicinals and in the chemical industry for developing new materials. It is also employed in the production of sensors and semiconductors, although its use in these areas is less common.

What precautions should be taken when handling 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone (CAS: 1048384-87-7)?

When handling 1-(3-Bromo-5-(trifluoromethyl)pyridin-2-yl)ethanone, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be stored in a fume hood to minimize inhalation risks. In case of a spill, it should be neutralized with an appropriate solution and disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and safety guidelines.

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