2-{4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl}acetic acid dihydrochloride CAS 1258640-20-8
| CAS No. | 1258640-20-8 |
| Molecular Formula | C13H16BrFN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl}acetic acid dihydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-{4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl}acetic acid dihydrochloride (CAS 1258640-20-8) is a high-purity analytical reference standard with the molecular formula C13H16BrFN2O2HCl and a molecular weight of 367.64 g/mol.
The molecular framework of 2-{4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl}acetic acid dihydrochloride (C13H16BrFN2O2HCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 2-{4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl}acetic acid dihydrochloride 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 | C13H16BrFN2O2 2*HCl |
| Molecular Weight | 367.64 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
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