[3-(difluoromethyl)phenyl]boronic acid CAS 854690-87-2
| CAS No. | 854690-87-2 |
| Molecular Formula | C7H13BF2O2 |
| Molecular Weight | 177.98 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.
[3-(difluoromethyl)phenyl]boronic acid (CAS 854690-87-2) is a high-purity analytical reference standard with the molecular formula C7H13BF2O2 and a molecular weight of 177.98 g/mol.
[3-(difluoromethyl)phenyl]boronic acid (C7H13BF2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, 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.
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 | C7H13BF2O2 |
| Molecular Weight | 177.98 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 0.5 |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
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