4-Bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile CAS 1774898-91-7
| CAS No. | 1774898-91-7 |
| Molecular Formula | C12H11BrF2N2 |
| Molecular Weight | 301.13 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.
CATO supplies 4-Bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile (CAS 1774898-91-7), a certified reference material (molecular formula C12H11BrF2N2, MW 301.13 g/mol) for analytical method development and quality control.
Structurally, 4-Bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile (C12H11BrF2N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 301.13 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.
As a certified reference material (CRM), 4-Bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile 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 | C12H11BrF2N2 |
| Molecular Weight | 301.13 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 5-Bromo-2-(3,3-difluoropiperidin-1-yl)benzonitrile 1774896-39-7 (CAS 1774896-39-7)
- 5-Bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile 1774898-96-2 (CAS 1774898-96-2)
- 3-Bromo-2-(3,3-difluoropiperidin-1-yl)benzonitrile 1774896-17-1 (CAS 1774896-17-1)
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