1-(4-Iodophenyl)-1H-pyrazole

Name: 1-(4-Iodophenyl)-1H-pyrazole
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CAS No. 368869-86-7
Cat. No. CS-W021235
Purity≥98%
MDL No.MFCD02681941

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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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General Information

CAS No. 368869-86-7
Cat. No. CS-W021235
Purity ≥98%
MDL No. MFCD02681941
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇IN₂
Molecular Weight 270.07
Synonym(s) 1-(4-iodophenyl)pyrazole
SMILES IC1=CC=C(N2N=CC=C2)C=C1

Description

1-(4-Iodophenyl)-1H-pyrazole features a pyrazole core linked to an iodinated phenyl group, enabling direct use in palladium-catalyzed cross-coupling reactions. The iodine moiety serves as a reactive handle for C–C bond formation, while the pyrazole ring imparts stability and polarity. This compound is bench-stable and compatible with standard coupling conditions, facilitating efficient access to biaryl architectures in medicinal chemistry and materials science.

Application

1-(4-Iodophenyl)-1H-pyrazole serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient access to biaryl architectures. Its iodine functionality exhibits high reactivity in Suzuki, Stille, and Negishi couplings, while the pyrazole ring provides moderate stability and favorable solubility for bench-scale synthesis. The molecule functions effectively as a key intermediate in constructing heterocyclic scaffolds relevant to medicinal chemistry and materials science applications.

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 17.82
LogP 2.4769
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Iodophenyl)-1H-pyrazole

CAS No. 368869-86-7

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