2-Bromo-4-chlorobenzonitrile

Name: 2-Bromo-4-chlorobenzonitrile
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CAS No. 57381-49-4
Cat. No. CS-W005332
Purity≥97%
MDL No.MFCD00158966

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FedEx Limited Quantities Ground	$0.00
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General Information

CAS No. 57381-49-4
Cat. No. CS-W005332
Purity ≥97%
MDL No. MFCD00158966
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-4-chlorophenyl-carbonitrile
SMILES ClC1=CC(Br)=C(C=C1)C#N

Description

2-Bromo-4-chlorobenzonitrile features a nitrile group flanked by bromo and chloro substituents at meta positions, enabling direct functionalization in cross-coupling reactions. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates and agrochemical building blocks under standard conditions.

Application

2-Bromo-4-chlorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The nitrile group provides a handle for downstream functionalization, while the bromo and chloro substituents offer complementary reactivity profiles in sequential coupling strategies. Bench-stable and readily purified by recrystallization, it facilitates efficient access to substituted aromatic scaffolds common in API development.

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-4-chlorobenzonitrile

CAS No. 57381-49-4

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