3-Chloro-6-fluoroisoquinoline

Name: 3-Chloro-6-fluoroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 1041423-28-2
Cat. No. CS-0136553
Purity≥98%
MDL No.MFCD18837816

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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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3-Chloro-6-fluoroisoquinoline|CS-0136553

Structure of 1041423-28-2

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Description

3-Chloro-6-fluoroisoquinoline is a heterocyclic scaffold featuring complementary halogen substituents that enable efficient cross-coupling reactions. The electron-deficient core facilitates palladium-catalyzed transformations, while the fluorine atom enhances metabolic stability and modulates electronic properties. This compound serves as a key building block in medicinal chemistry for constructing complex nitrogen-containing frameworks.

Application

3-Chloro-6-fluoroisoquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The chloro group facilitates C–C bond formation under standard Suzuki or Buchwald-Hartwig conditions, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Bench-stable and compatible with common protecting group strategies, it supports efficient synthesis of complex heterocyclic scaffolds relevant to pharmaceutical development.

General Information

CAS No. 1041423-28-2
Cat. No. CS-0136553
Purity ≥98%
MDL No. MFCD18837816
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅ClFN
Molecular Weight 181.59
Synonym(s) 3-Chloro-6-fluoro-isoquinoline
SMILES FC1=CC2=C(C=NC(Cl)=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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-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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3-Chloro-6-fluoroisoquinoline

CAS No. 1041423-28-2

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