Butylphthalide Impurity 66 CAS 950681-46-6
| CAS No. | 950681-46-6 |
| Molecular Formula | C12H13BrO2 |
| Molecular Weight | 269.13 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Butylphthalide Impurity 66 (C12H13BrO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 269.13 g/mol, it falls into the medium-molecular-weight range. 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).
Butylphthalide Impurity 66 (CAS 950681-46-6) is a certified pharmaceutical impurity reference standard with the molecular formula C12H13BrO2 and a molecular weight of 269.13 g/mol.
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.
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.
Physical & Chemical Properties
| Molecular Formula | C12H13BrO2 |
| Molecular Weight | 269.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
Related Butylphthalide Standards
- Butylphthalide Impurity 63 (CAS 950681-35-3)
- Butylphthalide Impurity 64 (CAS 950681-49-9)
- Butylphthalide Impurity 65 (CAS 950681-33-1)
- Butylphthalide Impurity 73 (CAS CATO-C4X-181373)
- Butylphthalide Impurity 44 (CAS CATO-C4X-181344)
- Butylphthalide Impurity 36 (CAS 2245275-82-3)
- Butylphthalide Impurity 83 (CAS CATO-C4X-181383)
- Butylphthalide Impurity 29 (CAS CATO-C4X-181329)
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