4-Chloro-2-fluorobenzonitrile

Name: 4-Chloro-2-fluorobenzonitrile
Brand: ChemScene
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CAS No. 57381-51-8
Cat. No. CS-W016250
Purity≥97%
MDL No.MFCD00143284

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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4-Chloro-2-fluorobenzonitrile|CS-W016250

Structure of 57381-51-8

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Description

4-Chloro-2-fluorobenzonitrile features a strategically positioned nitrile group flanked by chlorine and fluorine substituents, enabling direct incorporation into heterocyclic scaffolds. This electron-deficient aryl building block facilitates efficient coupling reactions under standard conditions, offering enhanced reactivity for medicinal chemistry and materials synthesis workflows.

Application

4-Chloro-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of fluorinated aryl motifs into complex scaffolds. Its ortho-fluoro and meta-chloro substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and nucleophilic aromatic substitution. The nitrile group offers high functional group tolerance and facilitates downstream transformations such as amide formation or ring expansion. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring precise regiocontrol.

General Information

CAS No. 57381-51-8
Cat. No. CS-W016250
Purity ≥97%
MDL No. MFCD00143284
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFN
Molecular Weight 155.56
Synonym(s) 2-fluoro-4-chlorobenzonitrile
SMILES N#CC1=CC=C(Cl)C=C1F

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 : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H332
Precautionary Statements : P264-P270-P330-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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4-Chloro-2-fluorobenzonitrile

CAS No. 57381-51-8

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