2,5-Difluoro-4-nitrobenzonitrile

Name: 2,5-Difluoro-4-nitrobenzonitrile
Brand: ChemScene
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CAS No. 172921-32-3
Cat. No. CS-0157899
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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2,5-Difluoro-4-nitrobenzonitrile|CS-0157899

Structure of 172921-32-3

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General Information

CAS No. 172921-32-3
Cat. No. CS-0157899
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂F₂N₂O₂
Molecular Weight 184.10
Synonym(s) None
SMILES C1=C(C#N)C(=CC(=C1F)[N+](=O)[O-])F

Description

2,5-Difluoro-4-nitrobenzonitrile features a trifunctional aromatic core with electron-withdrawing fluorine and nitro groups flanking a nitrile moiety. This configuration imparts high reactivity in nucleophilic substitution cascades, enabling efficient access to complex heterocyclic scaffolds under mild conditions. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating use in multi-step synthetic sequences.

Application

2,5-Difluoro-4-nitrobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of fluorinated heterocycles and electron-deficient aromatic scaffolds. Its dual fluorine substituents enhance metabolic stability and modulate electronic properties, while the nitro and nitrile groups provide orthogonal reactivity for sequential transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences and process-scale applications.

Safety Information

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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 66.93
LogP 1.74468
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,5-Difluoro-4-nitrobenzonitrile

CAS No. 172921-32-3

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