Methyl 2-bromo-2-(triphenylphosphoranylidene)acetate CAS 13504-77-3
| CAS No. | 13504-77-3 |
| Molecular Formula | C21H18BrO2P |
| Molecular Weight | 413.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-bromo-2-(triphenylphosphoranylidene)acetate (CAS 13504-77-3), molecular formula C21H18BrO2P and molecular weight 413.24 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-bromo-2-(triphenylphosphoranylidene)acetate (C21H18BrO2P) contains a steroid core, organophosphorus functionality, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.5, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 413.24 g/mol, it falls into the moderately-high-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).
As a certified reference material (CRM), Methyl 2-bromo-2-(triphenylphosphoranylidene)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H18BrO2P |
| Molecular Weight | 413.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | Br-containing |
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