1-chloroisoquinoline-4-carbonitrile
$250.00
CAS No.: 53491-80-8
Catalog No.: 196244
Purity: 95%
MF: C10H5ClN2
MW: 188.617
Storage: 2-8 degree Celsius
SMILES: ClC1=NC=C(C2=CC=CC=C12)C#N
Catalog No.: 196244
Purity: 95%
MF: C10H5ClN2
MW: 188.617
Storage: 2-8 degree Celsius
SMILES: ClC1=NC=C(C2=CC=CC=C12)C#N
1-chloroisoquinoline-4-carbonitrile; CAS No.: 53491-80-8; 1-chloroisoquinoline-4-carbonitrile. PROPERTIES: This compound presents a 1-chloroisoquinoline-4-carbonitrile structure, combining a chloro substituent and a nitrile group on the isoquinoline framework. It typically appears as a white to off-white crystalline solid with a molecular weight of approximately 179.6 g/mol (C8H4ClN2). The melting point ranges between 120-125 C, and it exhibits moderate solubility in common organic solvents like ethyl acetate, dichloromethane, and tetrahydrofuran while being sparingly soluble in water. Proper storage requires a tightly sealed container in a cool, dry place. Safety considerations include wearing appropriate PPE. It is classified as a skin and eye irritant (GHS07) with the hazard statement H315-H319. APPLICATIONS: 1-Chloroisoquinoline-4-carbonitrile serves as a specialized intermediate in pharmaceutical research. Its 1-chloroisoquinoline-4-carbonitrile structure enables diverse reactivity patterns, including nucleophilic substitution at the chloro position and electrophilic substitution at the isoquinoline ring. In medicinal chemistry, it is used to develop bioactive molecules targeting kinases, proteases, and G protein-coupled receptors. The nitrile group can be hydrolyzed to a carboxylic acid or reduced to an amine for further functionalization. This compound also functions as a building block in the synthesis of fluorescent dyes and bioconjugation reagents. Academic studies utilize it as a model system in Medicinal Chemistry journals, focusing on optimizing the 1-chloroisoquinoline-4-carbonitrile scaffold for improved biological activity and pharmacokinetic properties.
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