4-Bromo-3-methylphenylboronic acid pinaco ester CAS 2121511-60-0
| CAS No. | 2121511-60-0 |
| Molecular Formula | C13H18BBrO2 |
| Molecular Weight | 297.00 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.
4-Bromo-3-methylphenylboronic acid pinaco ester (CAS 2121511-60-0), molecular formula C13H18BBrO2 and molecular weight 297.00 g/mol, is a CATO reference standard with documented purity and traceability.
4-Bromo-3-methylphenylboronic acid pinaco ester (C13H18BBrO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H18BBrO2 |
| Molecular Weight | 297.00 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Br-containing |
Related Bromo Standards
- 5-Bromo-2-methylphenylboronic acid pinacol ester (CAS 1192051-39-0)
- 2-(2-Bromo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1256781-59-5)
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- 2-(2-Bromo-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1701437-37-7)
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- 2-(3-Bromo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 942069-53-6)
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- 2-(4-Bromo-2-methylphenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane (CAS 2096995-13-8)
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- 4-(2-Chloro-4-fluorophenyl)thiazol-2-amine hydrobromide (CAS 1052553-38-4)
- Rimegepant Impurity 140 (CAS CATO-C4X-2487140)
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