Description

Bromodifluoroacetonitrile (CAS No. 7601-99-2) is a highly specialized fluorinated nitrile compound with the molecular formula C₂BrF₂N. This organobromine reagent is characterized by its reactive bromine and nitrile functional groups, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound’s IUPAC name, 2-bromo-2,2-difluoroacetonitrile, reflects its precise molecular structure, featuring a difluoromethyl group adjacent to both a bromine atom and a nitrile moiety.

With a purity grade suitable for research applications, this product is rigorously tested to ensure consistency and reliability in experimental settings. Its unique reactivity profile enables diverse transformations, including nucleophilic substitutions and cycloadditions. Bromodifluoroacetonitrile is supplied in sealed containers under inert atmosphere to maintain stability, and it should be stored in a cool, dry environment away from incompatible materials.

Applications span from advanced material synthesis to agrochemical development, where its fluorine and bromine atoms contribute to desired electronic and steric properties. Researchers value this compound for its ability to introduce both difluoromethyl and nitrile functionalities in a single step.

Properties

• CAS Number: 7601-99-2
• Complexity: 91
• IUPAC Name: 2-bromo-2,2-difluoro-acetonitrile
• InChI: InChI=1S/C2BrF2N/c3-2(4,5)1-6
• InChI Key: PWSYCGWXKUPFKT-UHFFFAOYSA-N
• Exact Mass: 154.91822
• Molecular Formula: C2BrF2N
• Molecular Weight: 155.93
• SMILES: C(#N)C(F)(F)Br
• Topological: 23.8
• Monoisotopic Mass: 154.91822
• Synonyms: BROMODIFLUOROACETONITRILE, 7601-99-2, 2-bromo-2,2-difluoroacetonitrile, Acetonitrile,2-bromo-2,2-difluoro-, C2BrF2N, 2-bromo-2,2-difluoro-acetonitrile, MFCD04038300, SCHEMBL28123223, DTXSID50381997, PWSYCGWXKUPFKT-UHFFFAOYSA-N, AKOS006230239, DB-254108

Application

Bromodifluoroacetonitrile serves as a versatile building block in pharmaceutical research, particularly for introducing difluoromethyl groups into target molecules. Its reactivity enables use in nucleophilic substitution reactions to create novel fluorinated compounds with potential biological activity. The compound finds application in material science for developing specialty polymers with unique electronic properties. Researchers also utilize it in agrochemical synthesis to create fluorinated pesticides and herbicides.

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