3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester CAS 161466-39-3
| CAS No. | 161466-39-3 |
| Molecular Formula | C15H20I3NO2 |
| Molecular Weight | 627.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester (CAS 161466-39-3), molecular formula C15H20I3NO2 and molecular weight 627.04 g/mol, is a CATO reference standard with documented purity and traceability.
3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester (C15H20I3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C15H20I3NO2 |
| Molecular Weight | 627.04 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
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- 3-(5-Chlorobenzofuran-2-yl)benzoic acid (CAS 835595-05-6)
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- Methyl 3-cyanobenzimidate (CAS 357925-37-2)
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- 5,7-Dimethyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidine (CAS 3210-44-4)
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