For research scientists and formulators, understanding the precise specifications and handling requirements of chemical intermediates is critical for successful project execution. This article provides a technical deep-dive into 1,1-Dibromo-3,3,3-trifluoroacetone (CAS 431-67-4), a valuable compound in synthetic chemistry.

Key Technical Specifications

Product Name: 1,1-Dibromo-3,3,3-trifluoroacetone
CAS Number: 431-67-4
Molecular Formula: C3HBr2F3O
Molecular Weight: 269.84 g/mol
Appearance: Light-Orange Liquid
Purity: Typically NLT 97% or 98% (GC)
Boiling Point: 111-113 °C
Density: 1.98
Solubility: Soluble in Chloroform, not miscible with water.

Applications in Advanced Synthesis

The chemical structure of 1,1-Dibromo-3,3,3-trifluoroacetone makes it a potent reagent for introducing trifluoromethyl groups and facilitating complex cyclization reactions. It is particularly noted for its role in:

  • Synthesizing anti-tumor CDK inhibitors via pyrazole analogues.
  • Forming trifluoromethyl heterocycles for drug discovery.
  • As a precursor in the synthesis of trifluoropyruvaldehyde hydrate.
  • Applications in agrochemical intermediate production, such as pyridazinone derivatives.

Safe Handling and Storage Guidelines

Given its reactive nature, proper handling is essential. Researchers and laboratory technicians should always refer to the Safety Data Sheet (SDS) for detailed guidance. Key recommendations typically include:

  • Working in a well-ventilated area or fume hood.
  • Wearing appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coats.
  • Avoiding contact with strong bases, active metals, and strong oxidizing agents.
  • Storing the material in a tightly closed container under an inert atmosphere, preferably at 2-8°C.

Sourcing and Procurement Insights

For scientists requiring 1,1-Dibromo-3,3,3-trifluoroacetone, reliable sourcing is key. Many research institutions and companies look to established chemical suppliers and manufacturers, particularly those based in China, for competitive pricing and consistent quality. When seeking to 'buy 1,1-dibromo-3,3,3-trifluoroacetone', it is advisable to request a Certificate of Analysis (COA) to verify purity and specifications. Understanding the supply chain and confirming supplier reliability is a critical step for any R&D project.

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