Butylphthalide Impurity 63 CAS 950681-35-3
| CAS No. | 950681-35-3 |
| Molecular Formula | C12H13BrO2 |
| Molecular Weight | 269.13 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Butylphthalide Impurity 63 (C12H13BrO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Butylphthalide Impurity 63 (CAS 950681-35-3) 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 64 (CAS 950681-49-9)
- Butylphthalide Impurity 65 (CAS 950681-33-1)
- Butylphthalide Impurity 66 (CAS 950681-46-6)
- 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)
Recommended Standards
- Ethyl 4-bromomethylcinnamate (CAS 60682-98-6)
- Methyl 1-(4-(bromomethyl)phenyl)cyclopropanecarboxylate 873372-30-6 A1-09524 (CAS 873372-30-6)
- Ozagrel Impurity 3 (CAS 78712-67-1)
- Metoprine (CAS 7761-45-7)
- Tulobuterol Impurity N8 (CAS 118888-64-5)
- Dapagliflozin Impurity 119 (CAS CATO-C4X-1138119)
- Paracetamol EP Impurity K HCl (CAS 51-78-5)
- 8-(Ethylsulfonyl)quinoline (CAS 103646-26-0)
- 1-(2-((Cyclohexyl(methyl)amino)methyl)phenyl)-3-(furan-3-ylmethyl)urea (CAS 1241102-42-0)
- Olmesartan Impurity 66 (CAS 157356-74-6)
- 1779124-87-6 N,N-Dimethyl-1-(4-nitropyridin-3-yl)piperidin-4-amine (CAS 1779124-87-6)
- ((4-Fluorophenyl)sulfonyl)serine (CAS 97801-44-0)
- N-(4-Bromophenyl)-3-oxo-3-phenylpropanamide (CAS 1088-93-3)
- Neuropeptide K (human, porcine, rat) trifluoroacetate salt (CAS 96827-05-3)
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