5-Chloro-2,4-difluorobenzonitrile

Name: 5-Chloro-2,4-difluorobenzonitrile
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CAS No. 146780-26-9
Cat. No. CS-W022345
Purity≥98%
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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5-Chloro-2,4-difluorobenzonitrile|CS-W022345

Structure of 146780-26-9

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General Information

CAS No. 146780-26-9
Cat. No. CS-W022345
Purity ≥98%
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) benzonitrile, 5-chloro-2,4-difluoro-
SMILES N#CC1=CC(Cl)=C(F)C=C1F

Description

5-Chloro-2,4-difluorobenzonitrile features a trifunctional aromatic core with complementary electron-withdrawing groups enabling high reactivity in cross-coupling and nucleophilic substitution. The ortho-fluoro and para-chloro substituents facilitate selective functionalization, while the nitrile group provides a robust handle for downstream transformations. This bench-stable scaffold integrates efficiently into complex molecular architectures requiring precise electronic tuning.

Application

5-Chloro-2,4-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its electron-deficient aromatic core enables efficient Suzuki-Miyaura and Buchwald-Hartwig coupling reactions. The nitrile group provides a handle for derivatization, while the ortho-fluoro and para-chloro substituents offer complementary reactivity for selective functionalization. Bench-stable and compatible with standard purification methods, it facilitates rapid access to complex heterocyclic scaffolds and API intermediates.

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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Computational Chemistry Data

TPSA 23.79
LogP 2.48988
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

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5-Chloro-2,4-difluorobenzonitrile

CAS No. 146780-26-9

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