| CAS No. | 696602-91-2 |
| Molecular Formula | 2*C4H5BN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 141.92 g/mol gives Pyrimidin-5-ylboronic acid hemihydrate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Pyrimidin-5-ylboronic acid hemihydrate (CAS 696602-91-2), molecular formula C4H5BN2O2H2O and molecular weight 141.92 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, Pyrimidin-5-ylboronic acid hemihydrate is typically white to off-white liquid. Its solid-state physicochemical attributes — including a molecular weight of 141.92 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
| Molecular Formula | 2*C4H5BN2O2 H2O |
| Molecular Weight | 141.92 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 2.5 |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |