CAS 898766-86-4
:5-(4-bromophenyl)-5-oxo-pentanenitrile
Description:
5-(4-bromophenyl)-5-oxo-pentanenitrile, with the CAS number 898766-86-4, is an organic compound characterized by its unique structure, which includes a pentanenitrile backbone and a 4-bromophenyl substituent. This compound features a carbonyl group (ketone) adjacent to the nitrile functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the bromine atom enhances its electrophilic character, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions and coupling reactions. The compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its polar nitrile and carbonyl groups. Its properties, such as melting point, boiling point, and specific reactivity, would depend on the molecular interactions and the environment in which it is used. Overall, 5-(4-bromophenyl)-5-oxo-pentanenitrile serves as a valuable building block in the synthesis of pharmaceuticals and agrochemicals, highlighting its significance in the field of organic chemistry.
Formula:C11H10BrNO
InChI:InChI=1/C11H10BrNO/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7H,1-3H2
SMILES:C(CC#N)CC(=O)c1ccc(cc1)Br
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