1-Chloro-6-fluoroisoquinoline

Name: 1-Chloro-6-fluoroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 214045-86-0
Cat. No. CS-0042595
Purity≥97%
MDL No.None

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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1-Chloro-6-fluoroisoquinoline|CS-0042595

Structure of 214045-86-0

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Description

1-Chloro-6-fluoroisoquinoline features a fused bicyclic core with complementary halogen substituents enabling precise functionalization. The chlorine and fluorine atoms provide orthogonal reactivity, facilitating palladium-catalyzed cross-coupling and nucleophilic substitution under mild conditions. This scaffold integrates readily into bioactive molecules and advanced materials due to its electron-deficient character and stability.

Application

1-Chloro-6-fluoroisoquinoline serves as a versatile building block for constructing biologically relevant isoquinoline scaffolds. The orthogonal halogenation pattern enables selective palladium-catalyzed cross-coupling reactions, facilitating efficient C–C bond formation under mild conditions. Its bench-stable nature and compatibility with diverse functional groups support streamlined synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 214045-86-0
Cat. No. CS-0042595
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅ClFN
Molecular Weight 181.59
Synonym(s) Isoquinoline,1-chloro-6-fluoro
SMILES FC1=CC2=C(C(Cl)=NC=C2)C=C1

Computational Chemistry Data

TPSA 12.89
LogP 3.0273
H_Acceptors 1
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

Quality Control

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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1-Chloro-6-fluoroisoquinoline

CAS No. 214045-86-0

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