CAS 898766-84-2
:3-Bromo-η-oxobenzeneoctanenitrile
Description:
3-Bromo-η-oxobenzeneoctanenitrile, identified by its CAS number 898766-84-2, is a chemical compound that features a bromine atom, a nitrile functional group, and a phenolic structure. The presence of the bromine atom suggests that it may exhibit reactivity typical of halogenated compounds, potentially participating in nucleophilic substitution reactions. The nitrile group (-C≡N) indicates that the compound may have applications in organic synthesis and materials science, as nitriles are often used as intermediates in the production of pharmaceuticals and agrochemicals. The phenolic component contributes to the compound's potential for hydrogen bonding and may influence its solubility and reactivity. Additionally, the octane chain suggests that the compound may possess hydrophobic characteristics, which could affect its behavior in various solvents and its interactions with biological systems. Overall, 3-Bromo-η-oxobenzeneoctanenitrile is a complex molecule with potential applications in synthetic chemistry, though specific properties such as melting point, boiling point, and solubility would require empirical measurement for precise characterization.
Formula:C14H16BrNO
InChI:InChI=1S/C14H16BrNO/c15-13-8-6-7-12(11-13)14(17)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9H2
InChI key:InChIKey=LTLHWYRKNBAXHQ-UHFFFAOYSA-N
SMILES:C(CCCCCCC#N)(=O)C1=CC(Br)=CC=C1
Synonyms:- 3-Bromo-η-oxobenzeneoctanenitrile
- Benzeneoctanenitrile, 3-bromo-η-oxo-
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