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CAS 53491-80-8

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1-chloroisoquinoline-4-carbonitrile

Description:
1-Chloroisoquinoline-4-carbonitrile is a chemical compound characterized by its isoquinoline structure, which features a bicyclic aromatic system. The presence of a chlorine atom at the 1-position and a cyano group (-C≡N) at the 4-position contributes to its unique reactivity and properties. This compound typically appears as a solid at room temperature and is known for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to interact with biological targets. The cyano group enhances its electrophilic character, making it a useful intermediate in organic synthesis. Additionally, the chlorine substituent can influence the compound's solubility and reactivity, allowing for various substitution reactions. Safety data indicates that, like many halogenated compounds, it should be handled with care, as it may pose health risks upon exposure. Overall, 1-chloroisoquinoline-4-carbonitrile is a valuable compound in research and industrial applications, particularly in the synthesis of more complex organic molecules.
Formula:C10H5ClN2
InChI:InChI=1/C10H5ClN2/c11-10-9-4-2-1-3-8(9)7(5-12)6-13-10/h1-4,6H
SMILES:c1ccc2c(c1)c(C#N)cnc2Cl
Synonyms:
  • 4-Isoquinolinecarbonitrile, 1-Chloro-
  • 1-Chloroisoquinoline-4-carbonitrile
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