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CAS 1260664-41-2

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1-Chloro-6-isoquinolinecarbonitrile

Description:
1-Chloro-6-isoquinolinecarbonitrile is a chemical compound characterized by its unique structure, which includes a chloro substituent and a cyano group attached to an isoquinoline ring system. This compound typically exhibits a pale to dark solid appearance and is known for its potential applications in medicinal chemistry and as an intermediate in organic synthesis. The presence of the chloro group enhances its reactivity, making it suitable for various chemical transformations. The cyano group contributes to its polarity and can influence its solubility in different solvents. Additionally, 1-Chloro-6-isoquinolinecarbonitrile may display biological activity, which can be explored in drug discovery contexts. Its molecular properties, such as melting point, boiling point, and spectral characteristics, are essential for understanding its behavior in chemical reactions and potential applications. Safety data sheets should be consulted for handling and storage guidelines, as with any chemical substance, to ensure safe laboratory practices.
Formula:C10H5ClN2
InChI:InChI=1S/C10H5ClN2/c11-10-9-2-1-7(6-12)5-8(9)3-4-13-10/h1-5H
InChI key:InChIKey=PEGDRHQYGZULLT-UHFFFAOYSA-N
SMILES:ClC=1C2=C(C=C(C#N)C=C2)C=CN1
Synonyms:
  • 1-Chloro-6-isoquinolinecarbonitrile
  • 6-Isoquinolinecarbonitrile, 1-chloro-
  • 1-Chloro-6-cyanoisoquinoline, 1-Chloro-6-cyano-2-azanaphthalene
  • 1-Chloroisoquinoline-6-carbonitrile
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