2,5-Difluoro-1,4-benzenedicarbonitrile

Name: 2,5-Difluoro-1,4-benzenedicarbonitrile
Brand: ChemScene
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CAS No. 1897-49-0
Cat. No. CS-0619898
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+
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2,5-Difluoro-1,4-benzenedicarbonitrile|CS-0619898

Structure of 1897-49-0

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General Information

CAS No. 1897-49-0
Cat. No. CS-0619898
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₂F₂N₂
Molecular Weight 164.11
Synonym(s) None
SMILES N#CC1=CC(F)=C(C#N)C=C1F

Description

2,5-Difluoro-1,4-benzenedicarbonitrile features two fluorine atoms at the 2 and 5 positions of a para-disubstituted benzene ring, flanking two electron-withdrawing nitrile groups. This combination imparts strong electron deficiency, enhancing reactivity in nucleophilic aromatic substitution and enabling incorporation into advanced organic frameworks. The molecule exhibits bench-stable handling characteristics and compatibility with diverse synthetic transformations under standard conditions.

Application

2,5-Difluoro-1,4-benzenedicarbonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of fluorinated aromatic scaffolds via palladium-catalyzed cross-coupling reactions. Its dual nitrile groups provide orthogonal reactivity for downstream functionalization, while the difluoro substitution enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for scalable synthesis and high-throughput screening applications.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 47.58
LogP 1.70816
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Material Science Covalent Organic Frameworks Nitrile COFs Linkers

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Building Blocks Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

Material Science Polymer/Macromolecule Reagents Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

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2,5-Difluoro-1,4-benzenedicarbonitrile

CAS No. 1897-49-0

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