4-Bromo-1-methyl-1H-benzo[d]imidazole

Name: 4-Bromo-1-methyl-1H-benzo[d]imidazole
Brand: ChemScene
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CAS No. 1353679-63-6
Cat. No. CS-0037180
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Bromo-1-methyl-1H-benzo[d]imidazole|CS-0037180

Structure of 1353679-63-6

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General Information

CAS No. 1353679-63-6
Cat. No. CS-0037180
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrN₂
Molecular Weight 211.06
Synonym(s) None
SMILES CN1C=NC2=C(C=CC=C21)Br

Description

4-Bromo-1-methyl-1H-benzo[d]imidazole features a brominated benzene ring fused to a methylated imidazole core, delivering a robust scaffold for transition metal-catalyzed coupling reactions. The electron-deficient aryl halide site enables efficient palladium-mediated cross-coupling, while the methyl group enhances solubility and stability under standard conditions. This compound serves as a key building block in synthesizing bioactive heterocycles and functional materials.

Application

4-Bromo-1-methyl-1H-benzo[d]imidazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo group and electron-rich heterocyclic core. The methyl substituent enhances solubility and modulates reactivity, while the benzoimidazole scaffold provides structural rigidity and hydrogen-bonding capability. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of bioactive molecules and functionalized heterocycles.

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-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 17.82
LogP 2.3358
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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4-Bromo-1-methyl-1H-benzo[d]imidazole

CAS No. 1353679-63-6

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