2-Chloro-4-iodobenzonitrile

Name: 2-Chloro-4-iodobenzonitrile
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CAS No. 371764-70-4
Cat. No. CS-0131358
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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General Information

CAS No. 371764-70-4
Cat. No. CS-0131358
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClIN
Molecular Weight 263.46
Synonym(s) Benzonitrile,2-chloro-4-iodo
SMILES N#CC1=CC=C(I)C=C1Cl

Description

2-Chloro-4-iodobenzonitrile features a dual halogenated aryl core enabling efficient cross-coupling reactions. The nitrile group provides a polar handle for further functionalization, while the ortho-chloro and para-iodo substituents offer orthogonal reactivity. This combination supports modular synthesis in medicinal chemistry and materials science under standard catalytic conditions.

Application

2-Chloro-4-iodobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling efficient access to biaryl scaffolds via Pd-catalyzed reactions. The ortho-chloro and para-iodo substituents provide orthogonal reactivity for sequential functionalization, while the nitrile group offers compatibility with diverse transformations. Its bench-stable nature and predictable coupling behavior make it well-suited for medicinal chemistry and process development workflows.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 23.79
LogP 2.81628
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-4-iodobenzonitrile

CAS No. 371764-70-4

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