tert-Butyl 4-(4-bromo-2-cyanophenyl)piperazine-1-carboxylate CAS 791846-40-7
| CAS No. | 791846-40-7 |
| Molecular Formula | C16H20BrN3O2 |
| Molecular Weight | 366.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C16H20BrN3O2, tert-Butyl 4-(4-bromo-2-cyanophenyl)piperazine-1-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 366.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies tert-Butyl 4-(4-bromo-2-cyanophenyl)piperazine-1-carboxylate (CAS 791846-40-7), a certified reference material (molecular formula C16H20BrN3O2, MW 366.25 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl 4-(4-bromo-2-cyanophenyl)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 | C16H20BrN3O2 |
| Molecular Weight | 366.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- N-Benzyl-4-bromo-N-phenylbenzamide (CAS 198225-05-7)
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- Semaglutide impurity 255 (CAS CATO-C4X-2226255)
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