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Atomfair 5-Amino-2,4,6-triiodoisophthalic acid C8H4I3NO4 CAS 35453-19-1

5-Amino-2,4,6-triiodoisophthalic acid (CAS No. 35453-19-1) is a high-purity, triiodinated aromatic compound with the molecular formula C8H4I3NO4. This specialized chemical is characterized by its unique structure featuring an amino group and two carboxylic acid functionalities on a triiodinated benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. With its high iodine content, it is particularly useful in applications requiring heavy-atom derivatization or contrast enhancement. Our product is rigorously tested for purity and consistency, ensuring optimal performance in research and industrial applications. Available in various quantities, it is supplied with comprehensive analytical data including HPLC, NMR, and MS…

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Description

5-Amino-2,4,6-triiodoisophthalic acid (CAS No. 35453-19-1) is a high-purity, triiodinated aromatic compound with the molecular formula C8H4I3NO4. This specialized chemical is characterized by its unique structure featuring an amino group and two carboxylic acid functionalities on a triiodinated benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. With its high iodine content, it is particularly useful in applications requiring heavy-atom derivatization or contrast enhancement. Our product is rigorously tested for purity and consistency, ensuring optimal performance in research and industrial applications. Available in various quantities, it is supplied with comprehensive analytical data including HPLC, NMR, and MS spectra.

Properties

  • CAS Number: 35453-19-1
  • Complexity: 286
  • IUPAC Name: 5-amino-2,4,6-triiodo-benzene-1,3-dicarboxylic acid
  • InChI: InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
  • InChI Key: JEZJSNULLBSYHV-UHFFFAOYSA-N
  • Exact Mass: 558.7275
  • Molecular Formula: C8H4I3NO4
  • Molecular Weight: 558.83
  • SMILES: C1(=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)O
  • Topological: 101
  • Monoisotopic Mass: 558.7275
  • Synonyms: 5-Amino-2,4,6-triiodoisophthalic acid, 35453-19-1, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid, 1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, A17G990RT0, Isophthalic acid, 5-amino-2,4,6-triiodo-, EINECS 252-575-4, EC 252-575-4, 2,4,6-Triiodo-5-aminoisophthalic acid, DTXSID10188969, IOHEXOL IMPURITY K [EP IMPURITY], IOHEXOL IMPURITY K (EP IMPURITY), DTXCID20111460, 252-575-4, MFCD00190167, UNII-A17G990RT0, C8H4I3NO4, 5-AMINO-2,4,6-IODOISOPHTHALIC ACID, 5-Amino-2,4,6-triiodoisophthalicacid, 1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-; Isophthalic acid, 5-amino-2,4,6-triiodo- (6CI); 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid; 2,4,6-Triiodo-5-aminoisophthalic acid; 5-Amino-2,4,6-triiodoisophthalic acid; 5-Amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, 4b9h, YSWG562, MLS006011502, SCHEMBL377437, 5-amino-2,4,6-triiodo-benzene-1,3-dicarboxylic acid, BCP13935, STL290529, AKOS005287314, 5-Amino-2,4,6-triiodoisopthalic acid, AC-8409, CS-W022287, AS-12308, SMR002528285, SY030125, A1406, ST45054162, EN300-20717, 5-Amino-2,4,6-triiodoisophthalic acid, 95%, O11343, SR-01000944807, SR-01000944807-1, Q27273489, F6782-3693, Z104480184, 5-Amino-2,4,6-triiodoisophthalic acid, analytical standard, InChI=1/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16

Application

5-Amino-2,4,6-triiodoisophthalic acid is primarily employed as a key intermediate in the synthesis of iodinated contrast agents for medical imaging. Its high iodine content makes it suitable for X-ray contrast media development. Additionally, it serves as a building block in pharmaceutical research for designing novel therapeutic agents. Researchers also utilize it in material science for creating heavy-atom derivatives in crystallography studies.

Safety and Hazards

GHS Hazard Statements

  • H317 (59.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
  • H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H334 (59.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Precautionary Statements

  • P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501

Hazard Classes and Categories

  • Skin Sens. 1 (59.7%)
  • Eye Dam. 1 (33.3%)
  • Resp. Sens. 1 (59.7%)

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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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