3-(4-Bromo-2,6-dimethylphenylcarbamoyl)-4-fluorophenylboronic acid CAS 1451391-49-3
| CAS No. | 1451391-49-3 |
| Molecular Formula | C15H14BBrFNO3 |
| Molecular Weight | 365.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 365.99 g/mol gives 3-(4-Bromo-2,6-dimethylphenylcarbamoyl)-4-fluorophenylboronic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(4-Bromo-2,6-dimethylphenylcarbamoyl)-4-fluorophenylboronic acid (CAS 1451391-49-3) is a high-purity analytical reference standard with the molecular formula C15H14BBrFNO3 and a molecular weight of 365.99 g/mol.
Structurally, 3-(4-Bromo-2,6-dimethylphenylcarbamoyl)-4-fluorophenylboronic acid (C15H14BBrFNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 365.99 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H14BBrFNO3 |
| Molecular Weight | 365.99 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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