tert-Butyl 4-((4-bromo-3-fluorobenzyl)oxy)piperazine-1-carboxylate CAS 1704096-59-2
| CAS No. | 1704096-59-2 |
| Molecular Formula | C16H22BrFN2O3 |
| Molecular Weight | 389.26 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.
tert-Butyl 4-((4-bromo-3-fluorobenzyl)oxy)piperazine-1-carboxylate (CAS 1704096-59-2), molecular formula C16H22BrFN2O3 and molecular weight 389.26 g/mol, is a CATO reference standard with documented purity and traceability.
tert-Butyl 4-((4-bromo-3-fluorobenzyl)oxy)piperazine-1-carboxylate (C16H22BrFN2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. It is notably hygroscopic, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), tert-Butyl 4-((4-bromo-3-fluorobenzyl)oxy)piperazine-1-carboxylate 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 | C16H22BrFN2O3 |
| Molecular Weight | 389.26 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.) | 1994 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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