4-bromo-1-methyl-5-nitropyrazole

Name: 4-bromo-1-methyl-5-nitropyrazole
Brand: ChemScene
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CAS No. 89607-11-4
Cat. No. CS-0036669
Purity≥98%
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-bromo-1-methyl-5-nitropyrazole|CS-0036669

Structure of 89607-11-4

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Description

4-Bromo-1-methyl-5-nitropyrazole features a pyrazole core functionalized with bromine, methyl, and nitro groups at positions 4, 1, and 5 respectively. This electron-deficient heterocycle integrates readily into cross-coupling reactions and serves as a key building block in medicinal chemistry for targeted scaffold diversification under standard conditions.

Application

4-Bromo-1-methyl-5-nitropyrazole serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the nitro functionality offers opportunities for selective reduction and subsequent derivatization. The methyl substitution enhances stability and modulates electronic properties, facilitating integration into complex molecular architectures with predictable reactivity.

General Information

CAS No. 89607-11-4
Cat. No. CS-0036669
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄BrN₃O₂
Molecular Weight 206.00
Synonym(s) 4-bromo-1-methyl-5-nitro-1H-pyrazole
SMILES CN1C(=C(C=N1)Br)[N+](=O)[O-]

Computational Chemistry Data

TPSA 60.96
LogP 1.0908
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

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-P280-P302+P352

Quality Control

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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4-bromo-1-methyl-5-nitropyrazole

CAS No. 89607-11-4

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