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Atomfair 4-Fluoro-3-iodobenzoic acid C7H4FIO2 CAS 403-18-9

4-Fluoro-3-iodobenzoic acid (CAS No. 403-18-9) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H4FIO2. This compound is a valuable building block in organic synthesis and pharmaceutical research, featuring both fluorine and iodine substituents on the aromatic ring for enhanced reactivity and selectivity. Its crystalline form and well-defined structure (IUPAC name: 4-fluoro-3-iodobenzoic acid) make it ideal for cross-coupling reactions, such as Suzuki or Ullmann couplings, as well as for the preparation of advanced intermediates in drug discovery. Packaged under inert conditions to ensure stability, this product is rigorously tested via HPLC, NMR, and mass spectrometry to guarantee ≥95%…

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Description

4-Fluoro-3-iodobenzoic acid (CAS No. 403-18-9) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H4FIO2. This compound is a valuable building block in organic synthesis and pharmaceutical research, featuring both fluorine and iodine substituents on the aromatic ring for enhanced reactivity and selectivity. Its crystalline form and well-defined structure (IUPAC name: 4-fluoro-3-iodobenzoic acid) make it ideal for cross-coupling reactions, such as Suzuki or Ullmann couplings, as well as for the preparation of advanced intermediates in drug discovery. Packaged under inert conditions to ensure stability, this product is rigorously tested via HPLC, NMR, and mass spectrometry to guarantee ≥95% purity. Suitable for use in medicinal chemistry, material science, and agrochemical development.

Properties

  • CAS Number: 403-18-9
  • Complexity: 163
  • IUPAC Name: 4-fluoro-3-iodo-benzoic acid
  • InChI: InChI=1S/C7H4FIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
  • InChI Key: IKSOHJRYPQRTLQ-UHFFFAOYSA-N
  • Exact Mass: 265.92401
  • Molecular Formula: C7H4FIO2
  • Molecular Weight: 266.01
  • SMILES: C1=CC(=C(C=C1C(=O)O)I)F
  • Topological: 37.3
  • Monoisotopic Mass: 265.92401
  • Synonyms: 4-fluoro-3-iodobenzoic acid, 403-18-9, DTXSID00274507, DTXCID50203483, 964-507-7, 4-fluoro-3-iodo-benzoic Acid, MFCD03788556, 3-iodo-4-fluorobenzoic acid, Benzoic acid, 4-fluoro-3-iodo-, 4-fluoro-3-iodobenzoicacid, SCHEMBL7756184, IKSOHJRYPQRTLQ-UHFFFAOYSA-N, BCP26635, SBB102976, AKOS015919932, CS-W014591, FF67385, PS-7330, SY101473, DB-010523, EN300-107765, Z1269207858

Application

4-Fluoro-3-iodobenzoic acid is widely employed as a key intermediate in the synthesis of pharmaceuticals and bioactive molecules, particularly in the development of fluorinated and iodinated aromatic compounds. Its reactive iodine moiety facilitates palladium-catalyzed cross-coupling reactions, enabling the construction of complex scaffolds. Researchers also utilize it in the design of PET radiotracers and X-ray contrast agents due to its halogenated structure. Additionally, it serves as a precursor for liquid crystals and specialty polymers in material science applications.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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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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