Butylphthalide Impurity 61 CAS 40125-50-6
| CAS No. | 40125-50-6 |
| Molecular Formula | C8H4Br2O2 |
| Molecular Weight | 291.92 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Butylphthalide Impurity 61 (C8H4Br2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Butylphthalide Impurity 61 (CAS 40125-50-6) is a certified pharmaceutical impurity reference standard with the molecular formula C8H4Br2O2 and a molecular weight of 291.92 g/mol.
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.
Physical & Chemical Properties
| Molecular Formula | C8H4Br2O2 |
| Molecular Weight | 291.92 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1968 |
| Halogen Content | Br-containing |
Related Butylphthalide Standards
- Butylphthalide Impurity 69 (CAS 879627-88-0)
- Butylphthalide Impurity 70 (CAS 102126-70-5)
- Butylphthalide Impurity 71 (CAS 1379356-37-2)
- Butylphthalide Impurity N5 (CAS 169141-21-3)
- Butylphthalide Impurity 43 (CAS CATO-C4X-181343)
- Butylphthalide Impurity 29 (CAS CATO-C4X-181329)
- Butylphthalide Impurity 83 (CAS CATO-C4X-181383)
- Butylphthalide Impurity 36 (CAS 2245275-82-3)
Recommended Standards
- 5,5'-Dibromo-2,2'-bifuran (CAS 70477-20-2)
- 4,6-Dibromoisophthalaldehyde (CAS 97094-37-6)
- 2,5-Dibromoterephthalaldehyde (CAS 63525-48-4)
- 2,5-Dibromobenzofuran-3(2H)-one (CAS 1823918-46-2)
- Resmetirom impurity 66 (CAS CATO-C4X-291266)
- Lenvatinib Impurity 15 (CAS 796848-80-1)
- Canagliflozin Impurity 74 (CAS CATO-C4X-112374)
- (3-Bromophenyl)(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851865-86-6)
- 2-(7-Fluoro-3-(methoxymethoxy)-8-methylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2791276-55-4)
- (1S,5R,7R)-10,10-dimethyl-3λ-thia-4-azatricyclo[5.2.1.01,]decane-3,3-dione (CAS 1932264-98-6)
- 2,2＇-Azobis(2-Methylpropionamidine) Dihydrochloride (CAS 2997-92-4)
- 2,6-bis(2-methylpropyl)piperidine hydrochloride (CAS 1803584-32-8)
- (2R,5S)-2-(tert-Butyl)-3,5-dimethylimidazolidin-4-one (CAS 156592-72-2)
- Tau Peptide (306-317) trifluoroacetate salt (CAS 1003007-59-7)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com