3-Bromo-1-(propan-2-yl)-1h-pyrazole

Name: 3-Bromo-1-(propan-2-yl)-1h-pyrazole
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CAS No. 1354706-35-6
Cat. No. CS-0241439
Molecule weight189.05
Purity≥95%
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+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Bromo-1-(propan-2-yl)-1h-pyrazole|CS-0241439

Structure of 1354706-35-6

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General Information

CAS No. 1354706-35-6
Cat. No. CS-0241439
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₉BrN₂
Molecular Weight 189.05
Synonym(s) 3-bromo-1-isopropyl-1H-pyrazole
SMILES CC(C)N1C=CC(=N1)Br

Description

3-Bromo-1-(propan-2-yl)-1H-pyrazole features a brominated pyrazole core with a branched isopropyl substituent, delivering enhanced stability and tailored reactivity. This bench-stable heterocycle integrates readily into synthetic sequences requiring halogen-directed functionalization, enabling efficient access to complex nitrogen-containing architectures under standard conditions.

Application

3-Bromo-1-(propan-2-yl)-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The isopropyl group enhances solubility and modulates electronic properties, while the pyrazole core provides a robust scaffold for heterocyclic compound synthesis. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient derivatization in multi-step syntheses.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 17.82
LogP 2.2265
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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3-Bromo-1-(propan-2-yl)-1h-pyrazole

CAS No. 1354706-35-6

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