CAS 898766-76-2
:2-Bromo-ζ-oxobenzeneheptanenitrile
Description:
2-Bromo-ζ-oxobenzeneheptanenitrile, identified by its CAS number 898766-76-2, is a chemical compound that features a complex structure characterized by the presence of a bromine atom, a nitrile group, and a ketone functional group within a heptane chain. The compound is likely to exhibit properties typical of halogenated organic compounds, such as increased reactivity due to the presence of the bromine atom, which can participate in nucleophilic substitution reactions. The nitrile group contributes to the compound's polarity and potential for hydrogen bonding, influencing its solubility in various solvents. Additionally, the aromatic ring (benzene) provides stability and can affect the compound's electronic properties. The presence of multiple functional groups suggests that 2-Bromo-ζ-oxobenzeneheptanenitrile may have applications in organic synthesis, potentially serving as an intermediate in the production of pharmaceuticals or agrochemicals. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C13H14BrNO
InChI:InChI=1S/C13H14BrNO/c14-12-8-5-4-7-11(12)13(16)9-3-1-2-6-10-15/h4-5,7-8H,1-3,6,9H2
InChI key:InChIKey=TVRJWQXIJSJZLI-UHFFFAOYSA-N
SMILES:C(CCCCCC#N)(=O)C1=C(Br)C=CC=C1
Synonyms:- Benzeneheptanenitrile, 2-bromo-ζ-oxo-
- 2-Bromo-ζ-oxobenzeneheptanenitrile
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