2-(3-Bromo-5-chlorophenyl)acetonitrile

Name: 2-(3-Bromo-5-chlorophenyl)acetonitrile
Brand: ChemScene
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CAS No. 1056454-88-6
Cat. No. CS-0139682
Purity≥97%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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2-(3-Bromo-5-chlorophenyl)acetonitrile|CS-0139682

Structure of 1056454-88-6

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Description

2-(3-Bromo-5-chlorophenyl)acetonitrile features a bromo-chloro-substituted aryl core paired with a reactive nitrile group, enabling direct incorporation into Suzuki-Miyaura and Buchwald-Hartwig coupling cascades. The electron-deficient aromatic ring enhances compatibility with palladium-catalyzed transformations, while the acetonitrile handle provides robust functionalization potential under standard conditions.

Application

2-(3-Bromo-5-chlorophenyl)acetonitrile serves as a versatile building block for constructing substituted phenylacetonitrile scaffolds in medicinal chemistry and agrochemical synthesis. The molecule enables direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions, with the nitrile group offering compatibility with nucleophilic additions and reductions. Its bench-stable nature and orthogonal reactivity profile facilitate efficient downstream transformations in multistep sequences.

General Information

CAS No. 1056454-88-6
Cat. No. CS-0139682
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrClN
Molecular Weight 230.49
Synonym(s) 3-BroMo-5-chlorophenylacetonitrile
SMILES N#CCC1=CC(Cl)=CC(Br)=C1

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-(3-Bromo-5-chlorophenyl)acetonitrile

CAS No. 1056454-88-6

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