3-Bromo-1H-pyrrole-2,5-dione CAS 98026-79-0
| CAS No. | 98026-79-0 |
| Molecular Formula | C4H2BrNO2 |
| Molecular Weight | 175.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 175.97 g/mol gives 3-Bromo-1H-pyrrole-2,5-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Bromo-1H-pyrrole-2,5-dione (CAS 98026-79-0), molecular formula C4H2BrNO2 and molecular weight 175.97 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H2BrNO2, 3-Bromo-1H-pyrrole-2,5-dione contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 175.97 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C4H2BrNO2 |
| Molecular Weight | 175.97 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 tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 5-Bromo-1H-1,2,4-triazole-3-carbaldehyde (CAS 1673526-56-1)
- 1-Bromo-1H-pyrrole-2,5-dione (CAS 45514-47-4)
- 4-bromo-1-nitroso-1H-pyrazole (CAS CATO-C4X-249322)
- 3-Bromo-4-fluoropyridine (CAS 116922-60-2)
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Recommended Standards
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- 4-Bromoisoxazole-5-carbaldehyde (CAS 1367950-71-7)
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- 4-Bromo-3-(2-methoxyethoxy)aniline (CAS 1041853-14-8)
- 4-Ethyl-2-(propoxymethyl)pyrimidine-5-carboxylic acid (CAS 1250786-39-0)
- 8,8-Dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid (CAS 1344262-82-3)
- (E)-N'-(Propan-2-yl)-N-(pyridin-3-yl)benzenecarboximidamide (CAS 477873-03-3)
- 1-(4-methylmorpholin-2-yl)ethan-1-amine (CAS 1421603-49-7)
- 4-(Azetidin-3-yl)piperazin-2-one (CAS 1257293-70-1)
- Kulactone (CAS 22611-36-5)
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