Description

3-Amino-2,4,6-triiodobenzoic acid (CAS No. 3119-15-1) is a high-purity, triiodinated aromatic compound with the molecular formula C₇H₄I₃NO₂. This specialized chemical features a benzoic acid backbone substituted with three iodine atoms and an amino group, making it a valuable intermediate for synthetic organic chemistry and radiocontrast agent development. Its high iodine content contributes to X-ray opacity, lending utility in medical imaging applications.

This product is synthesized under strict quality control measures to ensure ≥95% purity (HPLC) and is provided as a fine, crystalline powder. It is soluble in polar organic solvents such as DMSO and DMF but exhibits limited solubility in water. Suitable for research and industrial applications, each batch is accompanied by comprehensive analytical data including ¹H NMR, HPLC, and mass spectrometry reports.

Store in a cool, dry place protected from light. For research use only. Not for drug, household, or other uses.

Properties

• CAS Number: 3119-15-1
• Complexity: 214
• IUPAC Name: 3-amino-2,4,6-triiodo-benzoic acid
• InChI: InChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
• InChI Key: QMQFFHSJUJDRPG-UHFFFAOYSA-N
• Exact Mass: 514.7376
• Molecular Formula: C7H4I3NO2
• Molecular Weight: 514.83
• SMILES: C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
• Topological: 63.3
• Monoisotopic Mass: 514.7376
• Synonyms: 3-Amino-2,4,6-triiodobenzoic acid, 3119-15-1, 3-Amino-2,4,6-triiodo-benzoic acid, BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-, EINECS 221-493-0, NSC 60105, BRN 2113495, 99H77D8MTD, 2,4,6-triiodo-3-aminobenzoic acid, NSC-60105, Acido 3-amino-2,4,6-triiodobenzoico [Italian], Acido 3-amino-2,4,6-triiodobenzoico, DTXSID60185120, 4-14-00-01118 (Beilstein Handbook Reference), 3-AMINO-2,4,6-TRIIODOBENZOIC ACID [USP-RS], 3-AMINO-2,4,6-TRIIODOBENZOIC ACID (USP-RS), DTXCID70107611, 221-493-0, MFCD00007681, 3-Amino-2,4,6-triiodo-Benzoicacid, C7H4I3NO2, UNII-99H77D8MTD, NSC60105, SCHEMBL124763, 3-Amino-2,4,6-triiodobenzoicacid, ALBB-010232, 3-Amino-2,4,6- Trijodbenzoesaure, SBB057028, 2,4,6-triiodo-3-amino-benzoic acid, AKOS003382317, AC-8763, FA70182, AS-61320, CS-0186758, NS00029034, ST45027563, EN300-19263, E76533, 3-Amino-2 pound not4 pound not6-triiodobenzoic Acid, Q27272211, Z104473346, 3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water, 3-Amino-2,4,6-triiodobenzoic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13

Application

3-Amino-2,4,6-triiodobenzoic acid serves as a key precursor in the synthesis of iodinated contrast media for diagnostic imaging. Its triiodinated structure enables applications in developing X-ray and CT contrast agents. Researchers utilize this compound to modify pharmacokinetic properties in contrast agent design. It also finds use as an intermediate for advanced materials with high electron density.

Safety and Hazards

GHS Hazard Statements

• H302 (60.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (55.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (60.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (55.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (60.9%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (60.9%)
• Acute Tox. 4 (55.1%)
• Skin Irrit. 2 (60.9%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (55.1%)
• STOT SE 3 (60.9%)

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