5-Bromo-4-nitroisothiazole CAS 54390-96-4
| CAS No. | 54390-96-4 |
| Molecular Formula | C3HBrN2O2S |
| Molecular Weight | 209.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-Bromo-4-nitroisothiazole (CAS 54390-96-4) is a high-purity analytical reference standard with the molecular formula C3HBrN2O2S and a molecular weight of 209.02 g/mol.
Based on its molecular formula C3HBrN2O2S, 5-Bromo-4-nitroisothiazole contains an amide group, a sulfone 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 209.02 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C3HBrN2O2S |
| Molecular Weight | 209.02 g/mol |
| 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 DMSO, DMF, methanol |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Bromo Standards
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- 5-Bromo-4-nitrothiazole (CAS 1522380-30-8)
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- 5-Bromo-2-nitrothiazole (CAS 182692-69-9)
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Recommended Standards
- 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluoropyridine (CAS 1003858-52-3)
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- 4,5-Dichloro-6-ethoxypyridazin-3(2H)-one (CAS 117613-99-7)
- Methyl 2-(4,5-dichloro-1H-imidazol-1-yl)acetate (CAS 1189749-39-0)
- 1-Benzyl-4-(4-fluorophenyl)piperidin-4-ol (CAS 163631-02-5)
- α-Glyceryl Anthranilate (CAS 71574-35-1)
- 3-(2-Fluorobenzoyl)phenyl acetate (CAS 890099-45-3)
- Methyl 1-methyl-1H-1,2,4-triazole-5-carboxylate (CAS 57031-65-9)
- 6-methoxy-7-(2-thiazol-5-ylethynyl)isoindolin-1-one (CAS 2534532-60-8)
- 2-(Bromomethyl)-6-(difluoromethyl)-4-iodo-3-nitropyridine (CAS 1806860-79-6)
- 5-Methyl-3-phenyl-1H-pyrazolo[3,4-d]pyridazin-4(5H)-one (CAS 78868-97-0)
- Tris(morpholino)phosphine (CAS 5815-61-2)
- Thiamine Impurity 36 (CAS 408352-65-8)
- Semaglutide Impurity 147 (CAS CATO-C4X-2226147)
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