5-Bromobenzofuran-3(2H)-one CAS 54450-20-3
| CAS No. | 54450-20-3 |
| Molecular Formula | C8H5BrO2 |
| Molecular Weight | 213.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 213.03 g/mol gives 5-Bromobenzofuran-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Bromobenzofuran-3(2H)-one (CAS 54450-20-3) is a high-purity analytical reference standard with the molecular formula C8H5BrO2 and a molecular weight of 213.03 g/mol.
Based on its molecular formula C8H5BrO2, 5-Bromobenzofuran-3(2H)-one contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 213.03 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 | C8H5BrO2 |
| Molecular Weight | 213.03 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Br-containing |
Related Bromobenzofuran Standards
- 2-Bromobenzofuran-6-ol (CAS 112768-49-7)
- 3-Bromobenzofuran-2(3H)-one (CAS 115035-43-3)
- 4-Bromobenzofuran-7-ol (CAS 1522197-58-5)
- 5-Bromobenzofuran-6-ol (CAS 173290-19-2)
- 5-Bromobenzofuran-7-ol (CAS 1781485-15-1)
- 2-Bromobenzofuran-3(2H)-one (CAS 63379-58-8)
- 4-bromobenzofuran-5-ol (CAS 40432-23-3)
- 6-Bromobenzofuran-2(3H)-one (CAS 742079-90-9)
Recommended Standards
- 5-Bromobenzo[d]oxazol-2-amine (CAS 64037-07-6)
- 5-Bromoindazol-3(2H)-one (CAS 7364-27-4)
- 5-Bromobenzo[d]isoxazol-3-ylamine (CAS 455280-00-9)
- 5-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine (CAS 937047-47-7)
- 4-Hydroxy-2-mercapto-5-phenylpyrido[2,3-d]pyrimidine-7-carboxylic acid (CAS 1253394-73-8)
- 2,4,6-Trichlorobenzene-1,3,5-triol (CAS 56961-23-0)
- 5-Bromo-4-(4-ethylphenyl)pyrimidine (CAS 951884-40-5)
- 3-(4-Methoxyphenyl)-3-oxo-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}propanal (CAS 338414-11-2)
- cis-2-Boc-5-oxohexahydrocyclopenta[c]pyrrole (CAS 146231-54-1)
- 4-Amino-2-chloropyrimidine-5-carboxylic acid (CAS 773109-69-6)
- (S)-2-((R)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid (CAS 1585973-07-4)
- 3-Boc-8-hydroxyethyl-3-azabicyclo[3.2.1]octane (CAS 1341039-65-3)
- Nintedanib Impurity 37 (CAS 14719-83-6)
- Macrophage Inhibitory Peptide (CAS 41961-56-2)
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