CAS 1202006-93-6
:1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile
Description:
1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile is an organic compound characterized by its unique structure, which includes a cyclohexane ring, a carbonitrile functional group, and a bromophenyl substituent. The presence of the bromine atom introduces notable electronegative characteristics, influencing the compound's reactivity and potential applications in organic synthesis. The carbonyl group (ketone) contributes to the compound's ability to participate in various chemical reactions, such as nucleophilic additions. This compound may exhibit moderate to high lipophilicity due to its hydrophobic cyclohexane framework and aromatic bromophenyl group, which can affect its solubility in organic solvents. Additionally, the nitrile group can engage in hydrogen bonding, impacting its physical properties. Overall, 1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile is of interest in medicinal chemistry and materials science, where its structural features may be leveraged for the development of pharmaceuticals or functional materials. Safety and handling precautions should be observed due to the presence of bromine and the potential toxicity associated with nitriles.
Formula:C13H12BrNO
InChI:InChI=1S/C13H12BrNO/c14-12-4-2-1-3-11(12)13(9-15)7-5-10(16)6-8-13/h1-4H,5-8H2
InChI key:InChIKey=WTXFSSCKJGPKTR-UHFFFAOYSA-N
SMILES:C(#N)C1(CCC(=O)CC1)C2=C(Br)C=CC=C2
Synonyms:- 1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile
- Cyclohexanecarbonitrile, 1-(2-bromophenyl)-4-oxo-
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