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Atomfair 1-Methyl-4-iodo-1H-pyrazole C4H5IN2 CAS 39806-90-1

1-Methyl-4-iodo-1H-pyrazole (CAS No. 39806-90-1) is a high-purity heterocyclic organic compound with the molecular formula C4H5IN2. This iodinated pyrazole derivative is a versatile building block in pharmaceutical, agrochemical, and materials science research. The compound features a methyl group at the 1-position and an iodine substituent at the 4-position of the pyrazole ring, offering excellent reactivity for cross-coupling reactions such as Suzuki-Miyaura and Sonogashira couplings. Our product is synthesized under strict quality control, ensuring ≥95% purity by HPLC, and is supplied as a white to off-white crystalline powder. Ideal for medicinal chemistry, this reagent is packaged under inert gas to maximize stability…

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Description

1-Methyl-4-iodo-1H-pyrazole (CAS No. 39806-90-1) is a high-purity heterocyclic organic compound with the molecular formula C4H5IN2. This iodinated pyrazole derivative is a versatile building block in pharmaceutical, agrochemical, and materials science research. The compound features a methyl group at the 1-position and an iodine substituent at the 4-position of the pyrazole ring, offering excellent reactivity for cross-coupling reactions such as Suzuki-Miyaura and Sonogashira couplings. Our product is synthesized under strict quality control, ensuring ≥95% purity by HPLC, and is supplied as a white to off-white crystalline powder. Ideal for medicinal chemistry, this reagent is packaged under inert gas to maximize stability and shelf life. Available in quantities from 1g to 1kg with customizable packaging options.

Properties

  • CAS Number: 39806-90-1
  • Complexity: 66.7
  • IUPAC Name: 4-iodo-1-methyl-pyrazole
  • InChI: InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
  • InChI Key: RSDRDHPLXWMTRJ-UHFFFAOYSA-N
  • Exact Mass: 207.94975
  • Molecular Formula: C4H5IN2
  • Molecular Weight: 208.00
  • SMILES: CN1C=C(C=N1)I
  • Topological: 17.8
  • Monoisotopic Mass: 207.94975
  • Synonyms: 1-Methyl-4-iodo-1H-pyrazole, 626-785-5, 4-Iodo-1-methyl-1H-pyrazole, 39806-90-1, 4-iodo-1-methylpyrazole, 4-iodo-1-methyl-pyrazole, MFCD05663860, 1H-Pyrazole, 4-iodo-1-methyl-, N-methyl-4-iodopyrazole, 1-methyl-4-iodopyrazole, 1-methyl-4-iodo pyrazole, YSWG293, SCHEMBL360179, SCHEMBL1638680, SCHEMBL3975851, SCHEMBL17023390, DTXSID00370497, RSDRDHPLXWMTRJ-UHFFFAOYSA-N, 1H-pyrazole, 4-iodo-1-methyl-;, ALBB-013410, BCP13736, BBL104368, SBB027265, STL415512, 4-Iodo-1-methyl-1H-pyrazole, 97%, AKOS000302125, AC-6391, CS-W004080, FI75464, PS-5800, SB21931, SY023308, I0829, ST50569672, EN300-60912, F8880-1661, Z957334240

Application

1-Methyl-4-iodo-1H-pyrazole serves as a key intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its iodine moiety enables efficient palladium-catalyzed coupling reactions for constructing complex heterocyclic systems. Researchers utilize this compound in material science for creating conductive polymers and luminescent materials. The methyl group enhances metabolic stability in drug discovery applications.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H318 (93.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Dam. 1 (93.2%)
  • STOT SE 3 (97.7%)

If you are interested or have any questions, please contact us at support@atomfair.com

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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