| CAS No. | 101758-77-4 |
| Molecular Formula | C16H13Br2NO4 |
| Molecular Weight | 443.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
3-(5,6-Dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (CAS 101758-77-4), molecular formula C16H13Br2NO4 and molecular weight 443.09 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(5,6-Dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (C16H13Br2NO4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
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.
| Molecular Formula | C16H13Br2NO4 |
| Molecular Weight | 443.09 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |