2-Bromo-5-chlorobenzonitrile

Name: 2-Bromo-5-chlorobenzonitrile
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CAS No. 57381-37-0
Cat. No. CS-W005462
Purity≥98%
MDL No.MFCD08445660

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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General Information

CAS No. 57381-37-0
Cat. No. CS-W005462
Purity ≥98%
MDL No. MFCD08445660
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClN
Molecular Weight 216.46
Synonym(s) 2-Bromo-5-chlorobenzonitile
SMILES N#CC1=CC(Cl)=CC=C1Br

Description

2-Bromo-5-chlorobenzonitrile features a dual halogen substitution pattern on the benzene ring, delivering enhanced reactivity in cross-coupling and nucleophilic aromatic substitution reactions. The nitrile group provides a polar handle for downstream functionalization, while the electron-deficient aromatic core ensures compatibility with palladium-catalyzed transformations under standard conditions.

Application

2-Bromo-5-chlorobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible halogen substituents. The nitrile group provides a handle for downstream functionalization, while the ortho-bromo and meta-chloro positions offer regioselective reactivity. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing complex heterocycles and pharmaceutical scaffolds.

Safety Information

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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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Computational Chemistry Data

TPSA 23.79
LogP 2.97418
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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-Bromo-5-chlorobenzonitrile

CAS No. 57381-37-0

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