2-(2-Bromo-4-chlorophenyl)acetonitrile

Name: 2-(2-Bromo-4-chlorophenyl)acetonitrile
Brand: ChemScene
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CAS No. 52864-54-7
Cat. No. CS-0041833
Purity≥98%
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+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-(2-Bromo-4-chlorophenyl)acetonitrile|CS-0041833

Structure of 52864-54-7

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Description

2-(2-Bromo-4-chlorophenyl)acetonitrile features a brominated and chlorinated phenyl core paired with a nitrile-bearing acetyl side chain. This electron-deficient aryl halide integrates readily into cross-coupling reactions, serving as a key building block for pharmaceutical intermediates and functional materials under standard conditions.

Application

2-(2-Bromo-4-chlorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant heterocyclic scaffolds. Its dual halogenation pattern facilitates palladium-catalyzed cross-coupling reactions, while the nitrile group offers compatibility with nucleophilic additions and subsequent transformations. The compound exhibits good bench stability and is readily purified by column chromatography, making it well-suited for iterative synthesis workflows in API development.

General Information

CAS No. 52864-54-7
Cat. No. CS-0041833
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrClN
Molecular Weight 230.49
Synonym(s) 2-BROMO-4-CHLOROPHENYLACETONITRILE
SMILES N#CCC1=CC=C(Cl)C=C1Br

Computational Chemistry Data

TPSA 23.79
LogP 3.16858
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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 Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(2-Bromo-4-chlorophenyl)acetonitrile

CAS No. 52864-54-7

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