2-Bromo-3,4-difluorobenzonitrile

Name: 2-Bromo-3,4-difluorobenzonitrile
Brand: ChemScene
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CAS No. 1517611-20-9
Cat. No. CS-0161332
Purity≥97%
MDL No.MFCD22490573

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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-Bromo-3,4-difluorobenzonitrile|CS-0161332

Structure of 1517611-20-9

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General Information

CAS No. 1517611-20-9
Cat. No. CS-0161332
Purity ≥97%
MDL No. MFCD22490573
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂BrF₂N
Molecular Weight 218.00
Synonym(s) None
SMILES N#CC1=CC=C(F)C(F)=C1Br

Description

2-Bromo-3,4-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for selective coupling. This electron-deficient scaffold enables direct integration into cross-coupling reactions and serves as a key building block in medicinal chemistry and materials science.

Application

2-Bromo-3,4-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its ortho-bromo functionality. The difluoro substitution enhances metabolic stability and modulates electronic properties, while the nitrile group provides a handle for downstream transformations. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex heterocyclic scaffolds and functionalized aryl systems.

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 23.79
LogP 2.59898
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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-3,4-difluorobenzonitrile

CAS No. 1517611-20-9

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