1-Benzyl-4-bromo-1H-pyrazole

Name: 1-Benzyl-4-bromo-1H-pyrazole
Brand: ChemScene
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CAS No. 50877-41-3
Cat. No. CS-W021297
Purity≥97%
MDL No.MFCD02179566

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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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Structure of 50877-41-3

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Description

1-Benzyl-4-bromo-1H-pyrazole features a bromine atom at the 4-position of a pyrazole ring, enabling facile functionalization in cross-coupling reactions. The benzyl group enhances solubility and stability under standard conditions, while the heterocyclic core provides a rigid scaffold for medicinal chemistry applications.

Application

1-Benzyl-4-bromo-1H-pyrazole serves as a versatile building block for constructing pyrazole-based heterocycles and pharmaceutical scaffolds. The bromine atom enables palladium-catalyzed cross-coupling reactions, while the benzyl group provides steric and electronic modulation. It exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 50877-41-3
Cat. No. CS-W021297
Purity ≥97%
MDL No. MFCD02179566
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrN₂
Molecular Weight 237.10
Synonym(s) Albb-006334
SMILES BrC1=CN(CC2=CC=CC=C2)N=C1

Computational Chemistry Data

TPSA 17.82
LogP 2.6939
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Benzyl-4-bromo-1H-pyrazole

CAS No. 50877-41-3

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