2-Bromo-4,5-difluorobenzonitrile

Name: 2-Bromo-4,5-difluorobenzonitrile
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CAS No. 64695-82-5
Cat. No. CS-W003671
Purity≥98%
MDL No.MFCD09864661

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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+
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2-Bromo-4,5-difluorobenzonitrile|CS-W003671

Structure of 64695-82-5

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Description

2-Bromo-4,5-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for selective cross-coupling reactions. The electron-deficient ring enhances reactivity in palladium-catalyzed transformations, while the nitrile moiety provides a handle for downstream functionalization. This compound offers high stability under standard bench conditions and serves as a key intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical scaffolds.

Application

2-Bromo-4,5-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible halogen and nitrile functionalities. The ortho-bromo group facilitates Suzuki, Stille, and Negishi couplings, while the electron-withdrawing nitrile enhances reactivity in nucleophilic aromatic substitution. Bench-stable and readily purified, it functions effectively in multi-step syntheses of fluorinated heterocycles and bioactive scaffolds.

General Information

CAS No. 64695-82-5
Cat. No. CS-W003671
Purity ≥98%
MDL No. MFCD09864661
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂BrF₂N
Molecular Weight 218.00
Synonym(s) 2-Brom-4,5-difluorbenzonitril
SMILES BrC1=CC(F)=C(F)C=C1C#N

Computational Chemistry Data

TPSA 23.79
LogP 2.59898
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 Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-4,5-difluorobenzonitrile

CAS No. 64695-82-5

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