4-Chloro-1(2H)-isoquinolone

Name: 4-Chloro-1(2H)-isoquinolone
Brand: ChemScene
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CAS No. 56241-09-9
Cat. No. CS-0042896
Purity≥98%
MDL No.MFCD00834984

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 56241-09-9
Cat. No. CS-0042896
Purity ≥98%
MDL No. MFCD00834984
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClNO
Molecular Weight None
Synonym(s) None
SMILES O=C1NC=C(Cl)C2=C1C=CC=C2

Description

4-Chloro-1(2H)-isoquinolone is a bench-stable, electron-deficient heterocycle featuring a chlorinated isoquinolinone core. This structural motif enables direct incorporation into medicinal chemistry campaigns, serving as a key scaffold for kinase inhibitors and targeted therapeutics. The para-chloro substitution enhances electrophilicity at the C4 position, facilitating nucleophilic displacement reactions under mild conditions.

Application

4-Chloro-1(2H)-isoquinolone serves as a versatile building block in medicinal chemistry, enabling regioselective functionalization at the C4 position. Its chlorine substituent facilitates palladium-catalyzed cross-coupling reactions and nucleophilic substitution, supporting the construction of complex isoquinoline-based scaffolds. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it suitable for multi-step synthesis workflows in API development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 32.86
LogP 2.1815
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

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4-Chloro-1(2H)-isoquinolone

CAS No. 56241-09-9

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