Tofacitinib Impurity 91 CAS 3680-71-5
| CAS No. | 3680-71-5 |
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.12 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| 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.
Tofacitinib Impurity 91 (CAS 3680-71-5) is a certified pharmaceutical impurity reference standard with the molecular formula C6H5N3O and a molecular weight of 135.12 g/mol.
Owing to an amide group, a hydroxyl group, an ether linkage, an aromatic ring system, Tofacitinib Impurity 91 is typically off-white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 135.12 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).
This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
Physical & Chemical Properties
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.12 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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.) | 1958 |
| Nitrogen Atoms | 3 |
Related Tofacitinib Standards
- Tofacitinib Impurity N76 (CAS 322728-22-3)
- Tofacitinib Impurity 63 (CAS 1354469-76-3)
- Tofacitinib Impurity 117 (CAS 873-83-6)
- Tofacitinib Impurity 186 (CAS 89600-66-8)
- Tofacitinib Impurity 116 (CAS 77862-24-9)
- Tofacitinib Impurity 180 (CAS 100047-45-8)
- Tofacitinib Impurity N47 (CAS 52090-68-3)
- Tofacitinib Impurity 104 (CAS 39929-79-8)
Recommended Standards
- 2-(Hydroxymethyl)-2-Nitrosopropane-1,3-Diol (CAS 1262147-73-8)
- Olaparib Impurity 71 (CAS 2592-95-2)
- 92914-74-4 Isoxazolo[5,4-b]pyridin-3-ylamine isoxazolo[5,4-b]pyridin-3-amine (CAS 92914-74-4)
- Trazodone EP Impurity K (CAS 6969-71-7)
- Atorvastatin Impurity 168 (CAS CATO-C4X-1132168)
- Bacitracin Impurity P (CAS CATO-C4X-155316)
- Picosulfate Impurity 33 (CAS CATO-C4X-123733)
- 5-Cyclopropoxy-N,N-dimethyl-3-(methylthio)pyridin-2-amine (CAS 1243451-89-9)
- 3-Fluoro-2,4-diiodopyridine (CAS 153035-06-4)
- 2-(3,5-Dimethyl-4-(morpholin-3-yl)-1H-pyrazol-1-yl)acetic acid (CAS 1713602-42-6)
- 4-Iodo-8-(trifluoromethyl)quinoline (CAS 1161941-01-0)
- Ethyl 4-methyl-2-morpholinopyrimidine-5-carboxylate (CAS 78318-44-2)
- 2-Bromo-1-cyclohexene-1-methanol (CAS 117360-45-9)
- Gly-Neuroendocrine Regulatory Peptide-3 (human, mouse, rat) trifluoroacetate salt (CAS 1815618-19-9)
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