5-Bromo-4-nitro-1H-imidazole

CAS No. 6963-65-1
Cat. No. CS-0043023
Purity≥98%
MDL No.MFCD00033542

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Description

5-Bromo-4-nitro-1H-imidazole is a heterocyclic building block featuring a bromine atom at the 5-position and a nitro group at the 4-position, enabling versatile functionalization. The electron-deficient imidazole core facilitates transition metal-catalyzed coupling reactions, while the bench-stable nature supports handling under standard conditions.

Application

5-Bromo-4-nitro-1H-imidazole serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its bromine functionality. The nitro group provides a handle for selective reduction or further functionalization, while the imidazole core offers stability and compatibility with diverse reaction conditions. This compound facilitates efficient access to substituted imidazoles relevant in medicinal chemistry and agrochemical research.

General Information

CAS No. 6963-65-1
Cat. No. CS-0043023
Purity ≥98%
MDL No. MFCD00033542
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₂BrN₃O₂
Molecular Weight 191.97
Synonym(s) 4-Bromo-5-nitro-1H-imidazole
SMILES O=[N+]([O-])C1=C(N=CN1)Br

Computational Chemistry Data

TPSA 71.82
LogP 1.0804
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Key Words

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5-Bromo-4-nitro-1H-imidazole

CAS No. 6963-65-1

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