| CAS No. | 6066-82-6 |
| Molecular Formula | C4H5NO3 |
| Molecular Weight | 115.09 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 115.09 g/mol gives Tofacitinib Impurity 54 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Tofacitinib Impurity 54 (CAS 6066-82-6) is a certified pharmaceutical impurity reference standard with the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, Tofacitinib Impurity 54 is typically white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 115.09 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.
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
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 | C4H5NO3 |
| Molecular Weight | 115.09 g/mol |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 1 |