5-Bromo-7-fluoroisoindolin-1-one

Name: 5-Bromo-7-fluoroisoindolin-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 957346-37-1
Cat. No. CS-0054181
Purity≥96%
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+

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5-Bromo-7-fluoroisoindolin-1-one|CS-0054181

Structure of 957346-37-1

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Description

5-Bromo-7-fluoroisoindolin-1-one features a sterically constrained isoindolinone core bearing strategically positioned halogen substituents. The electron-deficient carbonyl and orthogonal bromo-fluoro pattern enable direct functionalization in cross-coupling reactions, while the bench-stable scaffold facilitates integration into complex molecular architectures under standard conditions.

Application

5-Bromo-7-fluoroisoindolin-1-one serves as a versatile building block for the synthesis of substituted isoindolinones, enabling efficient late-stage functionalization in medicinal chemistry. Its orthogonal halogen reactivity—bromine at C5 and fluorine at C7—facilitates palladium-catalyzed cross-coupling and nucleophilic substitution reactions under standard conditions. The compound exhibits excellent bench stability and compatibility with diverse reaction environments, simplifying purification and integration into multi-step syntheses of bioactive heterocycles.

General Information

CAS No. 957346-37-1
Cat. No. CS-0054181
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrFNO
Molecular Weight 230.03
Synonym(s) 5-bromo-7-fluoro-2,3-dihydro-isoindol-1-one
SMILES O=C1NCC2=C1C(F)=CC(Br)=C2

Computational Chemistry Data

TPSA 29.1
LogP 1.8316
H_Acceptors 1
H_Donors 1
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-H320-H335
Precautionary Statements : P264-P270-P330

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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5-Bromo-7-fluoroisoindolin-1-one

CAS No. 957346-37-1

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