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Atomfair 1,3,5-Trifluoro-2,4,6-triiodobenzene C6F3I3 CAS 84322-56-5

1,3,5-Trifluoro-2,4,6-triiodobenzene (CAS No. 84322-56-5) is a highly specialized halogenated aromatic compound with the molecular formula C6F3I3. This crystalline solid features a benzene ring substituted with three fluorine and three iodine atoms in a symmetrical 1,3,5-trifluoro-2,4,6-triiodo pattern, offering unique electronic and steric properties. With a molecular weight of 483.88 g/mol, it is particularly valued in advanced organic synthesis, materials science, and pharmaceutical research due to its electron-deficient aromatic system and heavy halogen content. The compound’s high purity (typically ≥97% by GC or HPLC) ensures reliable performance in demanding applications. Proper handling under inert atmosphere is recommended due to potential sensitivity to…

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Description

1,3,5-Trifluoro-2,4,6-triiodobenzene (CAS No. 84322-56-5) is a highly specialized halogenated aromatic compound with the molecular formula C6F3I3. This crystalline solid features a benzene ring substituted with three fluorine and three iodine atoms in a symmetrical 1,3,5-trifluoro-2,4,6-triiodo pattern, offering unique electronic and steric properties. With a molecular weight of 483.88 g/mol, it is particularly valued in advanced organic synthesis, materials science, and pharmaceutical research due to its electron-deficient aromatic system and heavy halogen content. The compound’s high purity (typically ≥97% by GC or HPLC) ensures reliable performance in demanding applications. Proper handling under inert atmosphere is recommended due to potential sensitivity to light and moisture. Available in research quantities with customizable packaging options.

Properties

  • CAS Number: 84322-56-5
  • Complexity: 122
  • IUPAC Name: 1,3,5-trifluoro-2,4,6-triiodo-benzene
  • InChI: InChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
  • InChI Key: NTAZOPPTLZSXQH-UHFFFAOYSA-N
  • Exact Mass: 509.7086
  • Molecular Formula: C6F3I3
  • Molecular Weight: 509.77
  • SMILES: C1(=C(C(=C(C(=C1I)F)I)F)I)F
  • Monoisotopic Mass: 509.7086
  • Synonyms: 1,3,5-trifluoro-2,4,6-triiodobenzene, 84322-56-5, DTXSID70397333, DTXCID60348192, 828-314-0, MFCD06248899, C6F3I3, 1,3,5-Trilfluoro-2,4,6-triiodobenzene, Benzene, 1,3,5-trifluoro-2,4,6-triiodo-, YSWG082, SCHEMBL6516734, BBL102181, STL555980, TD1003, AKOS015853342, CS-W008042, DS-18278, SY041311, DB-056783

Application

This compound serves as a key building block in the synthesis of complex fluorinated and iodinated aromatic systems, particularly in pharmaceutical intermediates and liquid crystal materials. Its electron-deficient nature makes it valuable in cross-coupling reactions for creating conjugated systems in organic electronics. Researchers also utilize it as a heavy-atom derivative in X-ray crystallography studies to aid phase determination.

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. 2 (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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