Methylene blue Impurity 6 CAS 4727-46-2
| CAS No. | 4727-46-2 |
| Molecular Formula | C16H18N3S |
| Molecular Weight | N/A |
| 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.
Methylene blue Impurity 6 (CAS 4727-46-2) is a certified pharmaceutical impurity reference standard with the molecular formula C16H18N3SI and a molecular weight of 411.30 g/mol.
Based on its molecular formula C16H18N3SI, Methylene blue Impurity 6 contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 411.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C16H18N3S I |
| Molecular Weight | 411.30 g/mol |
| Purity | >95% |
| Storage | Store at room temperature, protect from light |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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- 2-(4-Amino-2-(difluoromethyl)-5-nitropyridin-3-yl)acetonitrile (CAS 1806831-07-1)
- [(3,4-Dimethoxyphenyl)methyl](propan-2-yl)amine (CAS 101825-11-0)
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