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CAS 1337880-36-0

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6-Isoquinolinecarbonitrile, 3-chloro-

Description:
6-Isoquinolinecarbonitrile, 3-chloro- is a chemical compound characterized by its isoquinoline structure, which features a bicyclic aromatic system. The presence of a cyano group (-C≡N) at the carbon position adjacent to the nitrogen atom of the isoquinoline ring contributes to its reactivity and potential applications in organic synthesis. The chlorine substituent at the 3-position introduces additional reactivity, making it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential interactions with biological targets, which can be explored for medicinal chemistry applications. Safety data should be consulted to understand its handling and toxicity, as halogenated compounds can pose environmental and health risks. Overall, 6-Isoquinolinecarbonitrile, 3-chloro- is of interest in research and development due to its unique structural features and potential utility in synthetic chemistry.
Formula:C10H5ClN2
InChI:InChI=1S/C10H5ClN2/c11-10-4-9-3-7(5-12)1-2-8(9)6-13-10/h1-4,6H
InChI key:InChIKey=WVJVFQMWNDYFRD-UHFFFAOYSA-N
SMILES:C(#N)C1=CC2=C(C=C1)C=NC(Cl)=C2
Synonyms:
  • 6-Isoquinolinecarbonitrile, 3-chloro-
  • 3-Chloroisoquinoline-6-carbonitrile
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