1-(2,6-difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide CAS 218456-67-8
| CAS No. | 218456-67-8 |
| Molecular Formula | C17H12F2NO |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(2,6-difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide (C17H12F2NOBr) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 364.19 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(2,6-difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide (CAS 218456-67-8), molecular formula C17H12F2NOBr and molecular weight 364.19 g/mol, is a CATO reference standard with documented purity and traceability.
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), 1-(2,6-difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide 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 | C17H12F2NO Br |
| Molecular Weight | 364.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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