6-Chloroisoquinolin-1(2H)-one

Name: 6-Chloroisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 131002-09-0
Cat. No. CS-0044924
Purity≥98%
MDL No.MFCD11870518

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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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6-Chloroisoquinolin-1(2H)-one|CS-0044924

Structure of 131002-09-0

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General Information

CAS No. 131002-09-0
Cat. No. CS-0044924
Purity ≥98%
MDL No. MFCD11870518
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClNO
Molecular Weight 179.60
Synonym(s) 6-chloroisoquinolin-1-ol
SMILES O=C1NC=CC2=C1C=CC(Cl)=C2

Description

6-Chloroisoquinolin-1(2H)-one is a heterocyclic scaffold featuring a chlorine substituent at the 6-position, enhancing electrophilicity at the C6 carbon. This electron-deficient core facilitates nucleophilic aromatic substitution and serves as a key building block in medicinal chemistry for targeted drug discovery. The lactam functionality provides rigidity and hydrogen-bonding capacity, improving binding affinity and metabolic stability.

Application

6-Chloroisoquinolin-1(2H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling. Its stability under standard reaction conditions and compatibility with diverse nucleophiles facilitate efficient access to substituted isoquinolinones. The molecule functions as a key scaffold for constructing bioactive heterocycles and supports orthogonal transformations in multi-step synthesis.

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

Key Words

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6-Chloroisoquinolin-1(2H)-one

CAS No. 131002-09-0

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