CAS 898767-70-9
:3-Chloro-ε-oxobenzenehexanenitrile
Description:
3-Chloro-ε-oxobenzenehexanenitrile, identified by its CAS number 898767-70-9, is a chemical compound that features a chlorinated aromatic ring and a nitrile functional group. Its structure includes a hexane chain, which contributes to its hydrophobic characteristics. The presence of the chlorine atom introduces unique reactivity and potential for substitution reactions, while the nitrile group (–C≡N) enhances its polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, its physical properties, such as solubility and boiling point, are influenced by the balance between the hydrophobic alkyl chain and the polar functional groups. As with many nitriles, it may also have applications in organic synthesis and material science. Safety data should be consulted for handling and storage, as chlorinated compounds can pose environmental and health risks.
Formula:C12H12ClNO
InChI:InChI=1S/C12H12ClNO/c13-11-6-4-5-10(9-11)12(15)7-2-1-3-8-14/h4-6,9H,1-3,7H2
InChI key:InChIKey=FUQKXHMKAPIHIB-UHFFFAOYSA-N
SMILES:C(CCCCC#N)(=O)C1=CC(Cl)=CC=C1
Synonyms:- Benzenehexanenitrile, 3-chloro-ε-oxo-
- 3-Chloro-ε-oxobenzenehexanenitrile
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