4-Bromo-1,3-benzenedicarbonitrile

Name: 4-Bromo-1,3-benzenedicarbonitrile
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CAS No. 22433-89-2
Cat. No. CS-W023081
Purity≥96%
MDL No.MFCD00234370

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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4-Bromo-1,3-benzenedicarbonitrile|CS-W023081

Structure of 22433-89-2

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General Information

CAS No. 22433-89-2
Cat. No. CS-W023081
Purity ≥96%
MDL No. MFCD00234370
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃BrN₂
Molecular Weight 207.03
Synonym(s) 4-Bromoisophthalonitrile
SMILES N#CC1=CC=C(Br)C(C#N)=C1

Description

4-Bromo-1,3-benzenedicarbonitrile features a para-disubstituted benzene core bearing bromine and two nitrile groups, enabling selective functionalization in cross-coupling and heterocycle synthesis. This electron-deficient aromatic scaffold integrates readily into complex molecular architectures under mild conditions.

Application

4-Bromo-1,3-benzenedicarbonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its dual nitrile and bromo functionalities. The molecule exhibits excellent bench stability and facilitates efficient functionalization of aromatic scaffolds, particularly in the synthesis of heterocyclic systems and conjugated polymers. Its ortho-directed reactivity supports predictable transformations under standard conditions.

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 47.58
LogP 2.19246
H_Acceptors 2
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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4-Bromo-1,3-benzenedicarbonitrile

CAS No. 22433-89-2

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