3-chloro-5-nitro-1H-pyrazole

Name: 3-chloro-5-nitro-1H-pyrazole
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CAS No. 1369959-12-5
Cat. No. CS-W000620
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+
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General Information

CAS No. 1369959-12-5
Cat. No. CS-W000620
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₂ClN₃O₂
Molecular Weight 147.52
Synonym(s) None
SMILES [O-][N+](=O)c1cc(n[nH]1)Cl

Description

3-Chloro-5-nitro-1H-pyrazole features a fused heterocyclic core bearing electron-withdrawing chloro and nitro groups at adjacent positions, enhancing its utility in medicinal chemistry. This bench-stable scaffold integrates readily into diverse synthetic routes, serving as a key building block for bioactive compounds and functional materials.

Application

3-Chloro-5-nitro-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its complementary electron-withdrawing substituents enable regioselective functionalization via palladium-catalyzed cross-coupling, while the pyrazole core offers metabolic stability and favorable pharmacokinetic properties. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns.

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

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Computational Chemistry Data

TPSA 71.82
LogP 0.9713
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

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3-chloro-5-nitro-1H-pyrazole

CAS No. 1369959-12-5

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