3,4-Dibromobenzonitrile

Name: 3,4-Dibromobenzonitrile
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CAS No. 188984-35-2
Cat. No. CS-0103340
Molecule weight260.91
Purity≥97%
MDL No.MFCD09800818

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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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Structure of 188984-35-2

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General Information

CAS No. 188984-35-2
Cat. No. CS-0103340
Purity ≥97%
MDL No. MFCD09800818
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Br₂N
Molecular Weight 260.91
Synonym(s) 4-Dibromobenzonitrile
SMILES N#CC1=CC=C(C(Br)=C1)Br

Description

3,4-Dibromobenzonitrile features a dual bromine substitution pattern adjacent to a nitrile group on a benzene ring, enabling selective coupling reactions in cross-coupling and heterocycle synthesis. The electron-withdrawing nitrile enhances reactivity at the ortho-bromo positions, facilitating palladium-catalyzed transformations under standard conditions. This bench-stable, moisture-tolerant compound integrates readily into complex molecular architectures with high functional group compatibility.

Application

3,4-Dibromobenzonitrile serves as a versatile building block for the synthesis of functionalized aromatic scaffolds. Its dual bromine substituents enable sequential cross-coupling reactions, while the nitrile group offers a handle for selective transformations. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for use in Suzuki-Miyaura, Stille, and Negishi coupling protocols. It functions as a key intermediate in the construction of biaryl systems and heterocyclic frameworks relevant to medicinal chemistry and materials science.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 23.79
LogP 3.08328
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3,4-Dibromobenzonitrile

CAS No. 188984-35-2

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