| CAS No. | 1245811-22-6 |
| Molecular Formula | 2*C6H4ClN3O |
| Molecular Weight | N/A |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
CATO supplies Tofacitinib Impurity 141 (Mixture of Tautomeric Isomers) (CAS 1245811-22-6), a pharmacopoeial impurity reference standard (molecular formula C6H4ClN3O, MW 169.57 g/mol) used for the identification and quantification of trace impurities in APIs.
Owing to an amide group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, Tofacitinib Impurity 141 (Mixture of Tautomeric Isomers) is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 169.57 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | 2*C6H4ClN3O |
| Molecular Weight | 169.57 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |