4-Bromo-1-(3-fluorophenyl)-1H-pyrazole

Name: 4-Bromo-1-(3-fluorophenyl)-1H-pyrazole
Brand: ChemScene
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CAS No. 1353856-11-7
Cat. No. CS-0432859
Purity≥97%
MDL No.None

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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+
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4-Bromo-1-(3-fluorophenyl)-1H-pyrazole|CS-0432859

Structure of 1353856-11-7

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General Information

CAS No. 1353856-11-7
Cat. No. CS-0432859
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrFN₂
Molecular Weight 241.06
Synonym(s) 4-Bromo-1-(3-fluorophenyl)pyrazole
SMILES FC1=CC(N2N=CC(Br)=C2)=CC=C1

Description

4-Bromo-1-(3-fluorophenyl)-1H-pyrazole features a pyrazole core functionalized with a bromine at the 4-position and a 3-fluorophenyl group at C1, creating a sterically accessible site for cross-coupling. The electron-deficient pyrazole ring pairs effectively with palladium catalysts, enabling efficient Suzuki-Miyaura and Buchwald-Hartwig reactions. This compound demonstrates excellent stability under standard reaction conditions and serves as a valuable scaffold in medicinal chemistry and materials science.

Application

4-Bromo-1-(3-fluorophenyl)-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl scaffolds. The bromo group facilitates efficient Suzuki, Stille, or Negishi coupling, while the 3-fluorophenyl moiety provides enhanced metabolic stability and favorable binding interactions. Its bench-stable nature and straightforward purification support reliable integration into multi-step syntheses.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 17.82
LogP 2.7739
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

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-(3-fluorophenyl)-1H-pyrazole

CAS No. 1353856-11-7

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