4-Bromo-1-methyl-5-phenyl-1H-pyrazole

Name: 4-Bromo-1-methyl-5-phenyl-1H-pyrazole
Brand: ChemScene
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CAS No. 105994-77-2
Cat. No. CS-0151228
Molecule weight237.10
Purity≥97%
MDL No.MFCD04038958

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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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4-Bromo-1-methyl-5-phenyl-1H-pyrazole|CS-0151228

Structure of 105994-77-2

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General Information

CAS No. 105994-77-2
Cat. No. CS-0151228
Purity ≥97%
MDL No. MFCD04038958
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrN₂
Molecular Weight 237.10
Synonym(s) 4-BROMO-1-METHYL-5-PHENYL-1H-PYRAZOLE, 97
SMILES CN1C(=C(C=N1)Br)C2=CC=CC=C2

Description

4-Bromo-1-methyl-5-phenyl-1H-pyrazole features a brominated pyrazole core with a methyl group at N1 and a phenyl substituent at C5, delivering a robust scaffold for medicinal chemistry. The electron-deficient pyrazole ring enables efficient coupling reactions, while the sterically accessible bromine facilitates cross-coupling transformations. This compound exhibits excellent bench stability and solubility in common organic solvents, streamlining its use in synthesis workflows.

Application

4-Bromo-1-methyl-5-phenyl-1H-pyrazole serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The methyl and phenyl substituents provide orthogonal reactivity handles, while the pyrazole core offers inherent bench stability and compatibility with standard purification methods. This compound facilitates efficient access to substituted pyrazole scaffolds relevant to medicinal chemistry and materials science applications.

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

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Computational Chemistry Data

TPSA 17.82
LogP 2.8496
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-1-methyl-5-phenyl-1H-pyrazole

CAS No. 105994-77-2

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