CAS 898786-72-6
:3-(5-Chloro-1-oxopentyl)benzonitrile
Description:
3-(5-Chloro-1-oxopentyl)benzonitrile, identified by its CAS number 898786-72-6, is an organic compound characterized by the presence of a benzonitrile moiety and a chloro-substituted pentyl chain. The structure features a nitrile functional group (-C≡N) attached to a benzene ring, which contributes to its aromatic properties. The chloro substituent enhances its reactivity and may influence its solubility and interaction with biological systems. This compound is likely to exhibit moderate polarity due to the presence of both hydrophobic (aromatic) and polar (nitrile) groups. Its potential applications may include use in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The presence of the chloro group may also impart specific biological activities, making it of interest in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its potential toxicity and environmental impact.
Formula:C12H12ClNO
InChI:InChI=1S/C12H12ClNO/c13-7-2-1-6-12(15)11-5-3-4-10(8-11)9-14/h3-5,8H,1-2,6-7H2
InChI key:InChIKey=KCHVCEPXZXVKGG-UHFFFAOYSA-N
SMILES:C(CCCCCl)(=O)C1=CC(C#N)=CC=C1
Synonyms:- Benzonitrile, 3-(5-chloro-1-oxopentyl)-
- 3-(5-Chloro-1-oxopentyl)benzonitrile
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