3-Chloro-1-methyl-4-nitro-1H-pyrazole

Name: 3-Chloro-1-methyl-4-nitro-1H-pyrazole
Brand: ChemScene
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CAS No. 299930-70-4
Cat. No. CS-B1214
Purity≥98%
MDL No.MFCD00463968

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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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3-Chloro-1-methyl-4-nitro-1H-pyrazole|CS-B1214

Structure of 299930-70-4

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General Information

CAS No. 299930-70-4
Cat. No. CS-B1214
Purity ≥98%
MDL No. MFCD00463968
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄ClN₃O₂
Molecular Weight 161.55
Synonym(s) 3-chloro-1-methyl-4-nitropyrazole
SMILES O=[N+](C1=CN(C)N=C1Cl)[O-]

Description

3-Chloro-1-methyl-4-nitro-1H-pyrazole features a conjugated pyrazole core with complementary electron-withdrawing nitro and chloro substituents, enabling efficient coupling in cross-coupling reactions. The methyl group enhances solubility and stability under standard conditions, while the para-nitro functionality facilitates subsequent functionalization. This scaffold serves as a robust building block for bioactive heterocycles and pharmaceutical intermediates.

Application

3-Chloro-1-methyl-4-nitro-1H-pyrazole serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its orthogonal functional groups enable sequential transformations, including palladium-catalyzed cross-couplings at the chloro position and reduction of the nitro group to an amine under mild conditions. The molecule exhibits good bench stability, facilitates straightforward purification, and functions effectively in multi-step syntheses requiring precise regiocontrol and functional group compatibility.

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 60.96
LogP 0.9817
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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3-Chloro-1-methyl-4-nitro-1H-pyrazole

CAS No. 299930-70-4

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