2,4,6-Triiodobenzene-1,3,5-triol CAS 57730-42-4
| CAS No. | 57730-42-4 |
| Molecular Formula | C6H3I3O3 |
| Molecular Weight | 503.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2,4,6-Triiodobenzene-1,3,5-triol (CAS 57730-42-4) is a high-purity analytical reference standard with the molecular formula C6H3I3O3 and a molecular weight of 503.80 g/mol.
Based on its molecular formula C6H3I3O3, 2,4,6-Triiodobenzene-1,3,5-triol contains a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 503.80 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H3I3O3 |
| Molecular Weight | 503.80 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | I-containing |
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