2-Bromo-3,5-dinitrobenzoic acid CAS 116529-60-3
| CAS No. | 116529-60-3 |
| Molecular Formula | C7H3BrN2O6 |
| Molecular Weight | 291.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 291.01 g/mol gives 2-Bromo-3,5-dinitrobenzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Bromo-3,5-dinitrobenzoic acid (CAS 116529-60-3) is a high-purity analytical reference standard with the molecular formula C7H3BrN2O6 and a molecular weight of 291.01 g/mol.
The molecular framework of 2-Bromo-3,5-dinitrobenzoic acid (C7H3BrN2O6) is characterized by a carbohydrate-derived structure, an amide group, 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 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 | C7H3BrN2O6 |
| Molecular Weight | 291.01 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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