For synthetic chemists and researchers in the fine chemical industry, understanding the properties and reactivity of key building blocks is fundamental to successful innovation. 1,1-Dibromo-3,3,3-Trifluoroacetone (CAS 431-67-4) is one such molecule, offering a unique combination of halogen and trifluoromethyl functionalities that make it highly valuable in a wide array of organic synthesis applications. If you are looking to buy this reagent, a thorough understanding of its characteristics will guide your procurement and experimental design.

Physical and Chemical Properties

1,1-Dibromo-3,3,3-Trifluoroacetone is typically supplied as a liquid with a density of approximately 1.98 g/cm³. It possesses a boiling point of around 111°C and a flash point in a similar range, indicating its volatility and the need for careful handling. Its refractive index is approximately 1.4305. Stored correctly at -20°C, this compound maintains its integrity, ensuring consistent performance in subsequent reactions. The presence of two bromine atoms and a trifluoromethyl group adjacent to a ketone renders it electrophilic and reactive, making it a potent reagent for various carbon-carbon bond formations and heterocyclic synthesis.

Key Applications in Organic Synthesis

The utility of 1,1-Dibromo-3,3,3-Trifluoroacetone stems from its ability to serve as a precursor for a multitude of valuable organic compounds. Its applications span across several fields:

• Synthesis of Trifluoromethylated Compounds: This is perhaps its most significant application. The CF3 group is a crucial functional element in pharmaceuticals and agrochemicals, imparting desirable properties. This reagent is a direct pathway to incorporating this moiety.
• Heterocyclic Chemistry: It's widely employed in the synthesis of various nitrogen-containing heterocycles, including pyrazoles and pyridazines, which are core structures in many biologically active molecules.
• As a Reagent for Specific Transformations: For example, it has been used in the preparation of pyridazinone derivatives, important intermediates in herbicide synthesis, and in the creation of analogues of anti-tumor CDK inhibitors.

Procuring 1,1-Dibromo-3,3,3-Trifluoroacetone

When the need arises to buy 1,1-Dibromo-3,3,3-Trifluoroacetone, procurement professionals should seek out manufacturers and suppliers that guarantee high purity (often specified as 97% or greater) and provide comprehensive technical data. The price of 1,1-dibromo-3,3,3-trifluoroacetone will naturally depend on the quantity ordered and the supplier's market position. Establishing a relationship with a reliable supplier like NINGBO INNO PHARMCHEM CO.,LTD. ensures a dependable source for this critical synthetic intermediate, supporting your ongoing research and production needs.

By understanding the detailed properties and diverse synthetic potential of 1,1-Dibromo-3,3,3-Trifluoroacetone, chemists can more effectively integrate it into their synthetic strategies, paving the way for novel discoveries and the development of advanced chemical products.