Isoquinoline-4-carbonitrile

Name: Isoquinoline-4-carbonitrile
Brand: ChemScene
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CAS No. 34846-65-6
Cat. No. CS-0045001
Purity≥98%
MDL No.MFCD00957039

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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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Structure of 34846-65-6

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Description

Isoquinoline-4-carbonitrile features a rigid heteroaromatic core with a nitrile group at the 4-position, enabling integration into π-conjugated systems. This electron-deficient scaffold supports modular functionalization and serves as a key building block in pharmaceutical synthesis and materials chemistry.

Application

Isoquinoline-4-carbonitrile serves as a versatile building block in medicinal chemistry and catalytic synthesis, enabling direct functionalization at the C4 position via palladium-catalyzed cross-coupling reactions. Its nitrile group provides enhanced solubility and serves as a handle for downstream transformations, including hydrolysis to carboxylic acids or reductive amination. Bench-stable and compatible with diverse reaction conditions, it functions as a core scaffold in the construction of bioactive heterocycles and pharmaceutical intermediates.

General Information

CAS No. 34846-65-6
Cat. No. CS-0045001
Purity ≥98%
MDL No. MFCD00957039
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆N₂
Molecular Weight 154.17
Synonym(s) 4-Isoquinolinecarbonitrile
SMILES N#CC1=CN=CC2=C1C=CC=C2

Computational Chemistry Data

TPSA 36.68
LogP 2.10648
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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Isoquinoline-4-carbonitrile

CAS No. 34846-65-6

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