4-Chloro-2,5-difluorobenzonitrile

Name: 4-Chloro-2,5-difluorobenzonitrile
Brand: ChemScene
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CAS No. 135748-35-5
Cat. No. CS-0063913
Purity≥97%
MDL No.None

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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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4-Chloro-2,5-difluorobenzonitrile|CS-0063913

Structure of 135748-35-5

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Description

4-Chloro-2,5-difluorobenzonitrile features a trifunctional aromatic core with complementary reactivity for cross-coupling and nucleophilic substitution. The electron-deficient ring enables efficient palladium-catalyzed coupling, while the nitrile group serves as a handle for downstream derivatization. This bench-stable building block supports rapid access to bioactive heterocycles and pharmaceutical intermediates under standard conditions.

Application

4-Chloro-2,5-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles via nucleophilic aromatic substitution. Its orthogonal reactivity profile—combining electrophilic sites at the 4-chloro position with electron-withdrawing nitrile and fluorine groups—facilitates selective functionalization under mild conditions. The compound exhibits excellent bench stability, simplifies purification, and supports scalable transformations in multi-step synthetic sequences.

General Information

CAS No. 135748-35-5
Cat. No. CS-0063913
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂ClF₂N
Molecular Weight 173.55
Synonym(s) None
SMILES N#CC1=CC(F)=C(Cl)C=C1F

Computational Chemistry Data

TPSA 23.79
LogP 2.48988
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-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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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Cancer PRMT5

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4-Chloro-2,5-difluorobenzonitrile

CAS No. 135748-35-5

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