Description

1,3-Isobenzofurandione, 4,5,6,7-tetraiodo- (CAS No. 632-80-4) is a highly specialized iodinated organic compound with the molecular formula C₈I₄O₃. Also known as Tetraiodophthalic anhydride, this chemical features a benzofuran-1,3-dione core structure fully substituted with iodine atoms at the 4,5,6,7 positions, enhancing its reactivity and utility in synthetic applications. This high-purity reagent is ideal for researchers working in organic synthesis, material science, and pharmaceutical intermediates. Its unique structure makes it valuable for constructing complex iodinated aromatic systems. Available in rigorously controlled batches, this compound is characterized by ≥95% purity (HPLC) and is supplied as a fine crystalline powder with strict quality assurance for consistent performance. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 632-80-4
• Complexity: 291
• IUPAC Name: 4,5,6,7-tetraiodoisobenzofuran-1,3-dione
• InChI: InChI=1S/C8I4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
• InChI Key: UHIMKEGZFOQVHV-UHFFFAOYSA-N
• Exact Mass: 651.6026
• Molecular Formula: C8I4O3
• Molecular Weight: 651.70
• SMILES: C12=C(C(=C(C(=C1I)I)I)I)C(=O)OC2=O
• Topological: 43.4
• Monoisotopic Mass: 651.6026
• Synonyms: Tetraiodophthalic anhydride, 1,3-Isobenzofurandione, 4,5,6,7-tetraiodo-, NSC 26423, DTXSID1060897, DTXCID1043754, uhimkegzfoqvhv-uhfffaoysa-n, 632-80-4, 4,5,6,7-tetraiodoisobenzofuran-1,3-dione, 4,5,6,7-Tetraiodo-2-benzofuran-1,3-dione, Phthalic anhydride, tetraiodo-, NSC-26423, NSC26423, MFCD00083098, 1,3-Isobenzofurandione,4,5,6,7-tetraiodo, TW79D48VSH, SCHEMBL4957867, 1, 4,5,6,7-tetraiodo-, ALBB-032281, STK378287, AKOS015853713, AS-50161, DB-073297, 4,5,6,7-tetraiodo-isobenzofuran-1,3-dione, O11124, 4,5,6,7-Tetraiodo-2-benzofuran-1,3-dione #, 4,5,6,7-TETRAIODO-1,3-ISOBENZOFURANDIONE

Application

1,3-Isobenzofurandione, 4,5,6,7-tetraiodo- serves as a key intermediate in the synthesis of iodinated aromatic compounds for advanced material research. Its high iodine content makes it useful in X-ray contrast media development and pharmaceutical applications. Researchers also employ it as a building block for polycyclic systems in optoelectronic materials. The compound’s reactivity enables modifications for catalysis and ligand design in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, 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 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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