O,o-bis(4-bromo-2,5-dichlorophenyl) phenylphosphonothioate CAS 50654-88-1
| CAS No. | 50654-88-1 |
| Molecular Formula | C18H9Br2Cl4O2PS |
| Molecular Weight | 621.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
O,o-bis(4-bromo-2,5-dichlorophenyl) phenylphosphonothioate (CAS 50654-88-1), molecular formula C18H9Br2Cl4O2PS and molecular weight 621.92 g/mol, is a CATO reference standard with documented purity and traceability.
O,o-bis(4-bromo-2,5-dichlorophenyl) phenylphosphonothioate (C18H9Br2Cl4O2PS) contains a steroid core, a sulfone group, organophosphorus functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, 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.
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 | C18H9Br2Cl4O2PS |
| Molecular Weight | 621.92 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 11.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | Cl/Br-containing |
| Sulfur Atoms | 1 |
Recommended Standards
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- Liothyronine Impurity N1 (CAS 92151-30-9)
- UNC0646 (CAS 1320288-17-2)
- Levothyroxine EP Impurity C (CAS 51-24-1)
- 2,4-Dibromo-5-(difluoromethoxy)benzonitrile (CAS 1804885-08-2)
- Lysergic Acid Hydrazide (CAS 5256-61-1)
- 7-Chloro-5-methyl-1h-indole-2-carboxylic acid (CAS 5147-24-0)
- 2-Bromo-6-(hydroxymethyl)benzonitrile (CAS 1261791-01-8)
- (3,4-Dichloro-2-fluorophenyl)methanamine (CAS 1353636-77-7)
- 6-(2-Methyl-1H-imidazol-1-yl)-N-(o-tolyl)pyridazine-3-carboxamide (CAS 1396863-92-5)
- 1-(2-(Thiophen-3-yl)phenyl)ethan-1-one (CAS 886509-39-3)
- 3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride 851882-57-0 T2630 (CAS 851882-57-0)
- (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione (CAS 64492-87-1)
- Semaglutide Impurity 11 (CAS CATO-C4X-222611)
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