Description

4-Iodopyrazole (CAS No. 3469-69-0) is a high-purity heterocyclic organic compound with the molecular formula C₃H₃IN₂. This iodinated pyrazole derivative is a versatile building block in medicinal chemistry, agrochemical research, and material science applications. Its IUPAC name is 4-iodo-1H-pyrazole, and it is characterized by a five-membered aromatic ring containing two nitrogen atoms and an iodine substituent at the 4-position.

Our 4-Iodopyrazole is synthesized under strict quality control measures to ensure exceptional purity (>98%) and consistency, making it ideal for sensitive reactions such as Suzuki-Miyaura cross-coupling, nucleophilic substitutions, and metal-catalyzed transformations. The compound is supplied as a white to off-white crystalline powder, packaged under inert conditions to prevent degradation.

Key applications include its use as a precursor for pharmaceuticals, ligands in catalysis, and intermediates in the development of functional materials. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, HPLC, and mass spectrometry reports to guarantee traceability and reproducibility for research purposes.

Properties

• CAS Number: 3469-69-0
• Complexity: 48.1
• IUPAC Name: 4-iodo-1H-pyrazole
• InChI: InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
• InChI Key: LLNQWPTUJJYTTE-UHFFFAOYSA-N
• Exact Mass: 193.93410
• Molecular Formula: C3H3IN2
• Molecular Weight: 193.97
• SMILES: C1=C(C=NN1)I
• Topological: 28.7
• Monoisotopic Mass: 193.93410
• Melting Point: 108-110 °C
• Synonyms: 4-Iodopyrazole, 4-Iodo-1H-pyrazole, 3469-69-0, 1H-Pyrazole, 4-iodo-, CHEBI:45260, F33UJD465Q, EINECS 222-434-1, LLNQWPTUJJYTTE-UHFFFAOYSA-, DTXSID30188244, DTXCID60110735, 222-434-1, inchi=1/c3h3in2/c4-3-1-5-6-2-3/h1-2h,(h,5,6), MFCD00005244, 4-iodo-pyrazole, Pyrazole, 4-iodo, CHEMBL1235546, 4-Iodo-pyrazole; 4-Iodo-1H-pyrazole, 4-iodo pyrazole, pyrazole, 4-iodo-, 4-iodo-1H-pyrazol, 4-Iodopyrazole, 99%, UNII-F33UJD465Q, SCHEMBL71959, SCHEMBL536432, SCHEMBL2766058, ALBB-013400, BCP23197, HY-I0312, BDBM50622825, SBB025965, STK352892, AKOS005168313, AC-4433, AS-2016, CS-W008950, DB02721, SB12748, NCGC00324872-01, PD060015, SY004083, DB-006849, A6094, I0692, NS00029717, ST45161714, EN300-81552, AB01319363-02, AE-641/00647033, Q27104548, Z1203162050

Application

4-Iodopyrazole serves as a critical intermediate in the synthesis of biologically active compounds, particularly in the development of kinase inhibitors and antimicrobial agents. Its iodine moiety enables efficient cross-coupling reactions for constructing complex heterocyclic scaffolds in drug discovery. Researchers also utilize this compound to prepare N-heterocyclic carbene precursors for transition metal catalysis. In material science, it acts as a building block for photoactive and electronic materials due to its halogenated aromatic structure.

Safety and Hazards

GHS Hazard Statements

• H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (91.8%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (98%)
• STOT SE 3 (95.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.