3-Carboxy-5-fluorobenzeneboronic acid pinacol ester, 97% CAS 936728-22-2
| CAS No. | 936728-22-2 |
| Molecular Formula | C13H16BFO4 |
| Molecular Weight | 266.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Carboxy-5-fluorobenzeneboronic acid pinacol ester, 97% (CAS 936728-22-2) is a high-purity analytical reference standard with the molecular formula C13H16BFO4 and a molecular weight of 266.07 g/mol.
Based on its molecular formula C13H16BFO4, 3-Carboxy-5-fluorobenzeneboronic acid pinacol ester, 97% contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 266.07 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.
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 | C13H16BFO4 |
| Molecular Weight | 266.07 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Carboxy Standards
- 4-Carboxy-2-fluorobenzeneboronic acid pinacol ester, >97% (CAS 1050423-87-4)
- 2-Carboxy-5-fluorobenzeneboronic acid pinacol ester (CAS 1191063-57-6)
- 3-Carboxy-2-fluorobenzeneboronic acid pinacol ester, 97% (CAS 1373168-89-8)
- 3-Carboxy-4-fluorobenzeneboronic acid pinacol ester, 97% (CAS 882679-10-9)
- 4-Carboxy-3-fluorobenzeneboronic acid pinacol ester, 97% (CAS 867256-77-7)
- Potassium 7-carboxy-2,7-bis(methylthio)heptanoate (CAS 116956-39-9)
- 5-(3-carboxy-4-chlorophenyl)-2-furoic acid (CAS 1797985-24-0)
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Recommended Standards
- 2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 891843-32-6)
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- 2-Bromo-N-(5-nitrothiazol-2-yl)acetamide (CAS 349121-09-1)
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- 4-Hydroxy-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid (CAS 1936230-27-1)
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- 1-Methyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester (CAS 190783-99-4)
- Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 75976-10-2)
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