2-Chloro-4-fluorobenzonitrile

Name: 2-Chloro-4-fluorobenzonitrile
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CAS No. 60702-69-4
Cat. No. CS-W018016
Purity≥98%
MDL No.MFCD00042523

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Chloro-4-fluorobenzonitrile|CS-W018016

Structure of 60702-69-4

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Description

2-Chloro-4-fluorobenzonitrile features a dual halogenated aromatic core with orthogonal electron-withdrawing substituents, enabling selective coupling in cross-coupling reactions. The nitrile group provides a robust handle for downstream functionalization, while the fluorine and chlorine atoms offer enhanced metabolic stability and favorable electronic tuning for medicinal chemistry applications.

Application

2-Chloro-4-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its ortho-chloro and meta-fluoro substituents provide orthogonal reactivity for sequential functionalization, while the nitrile group supports diverse transformations including hydrolysis to carboxylic acids or reduction to aldehydes. The compound exhibits excellent bench stability and compatibility with standard purification methods, facilitating integration into multi-step synthetic sequences.

General Information

CAS No. 60702-69-4
Cat. No. CS-W018016
Purity ≥98%
MDL No. MFCD00042523
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFN
Molecular Weight 155.56
Synonym(s) 2-chloro-4-fluorobenzenecarbonitrile
SMILES C1=C(C(=CC=C1F)C#N)Cl

Computational Chemistry Data

TPSA 23.79
LogP 2.35078
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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-fluorobenzonitrile

CAS No. 60702-69-4

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