3-Bromo-5-chlorobenzonitrile

Name: 3-Bromo-5-chlorobenzonitrile
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CAS No. 304854-55-5
Cat. No. CS-W014832
Molecule weight216.46
Purity≥96%
MDL No.MFCD06200840

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FedEx Limited Quantities Ground	$0.00
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General Information

CAS No. 304854-55-5
Cat. No. CS-W014832
Purity ≥96%
MDL No. MFCD06200840
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClN
Molecular Weight 216.46
Synonym(s) 3-Bromo-5-chlorobenzonitrile
SMILES N#CC1=CC(Cl)=CC(Br)=C1

Description

3-Bromo-5-chlorobenzonitrile features a dual halogenated aromatic core with complementary reactivity for cross-coupling and nucleophilic substitution. The nitrile group provides a polar handle for derivatization, while the meta-halogen spacing enables selective functionalization in synthetic sequences. This robust scaffold integrates efficiently into complex molecular architectures under standard conditions.

Application

3-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-halogen pattern supports selective transformations. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex heterocycles and pharmaceutical scaffolds.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-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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3-Bromo-5-chlorobenzonitrile

CAS No. 304854-55-5

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