2-Bromo-6-(3,3-difluoropyrrolidin-1-yl)benzonitrile CAS 1779136-59-2
| CAS No. | 1779136-59-2 |
| Molecular Formula | C11H9BrF2N2 |
| Molecular Weight | 287.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-Bromo-6-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1779136-59-2), a certified reference material (molecular formula C11H9BrF2N2, MW 287.10 g/mol) for analytical method development and quality control.
The molecular framework of 2-Bromo-6-(3,3-difluoropyrrolidin-1-yl)benzonitrile (C11H9BrF2N2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 2-Bromo-6-(3,3-difluoropyrrolidin-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 | C11H9BrF2N2 |
| Molecular Weight | 287.10 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 tightly closed to prevent evaporation |
| 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 |
Related Bromo Standards
- 4-Bromo-5-(2,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole (CAS 1221502-74-4)
- (3-Bromo-4-methoxyphenyl)(trifluoromethyl)sulfane (CAS 1357624-52-2)
- 2-Bromo-5-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1627693-34-8)
- 5-Bromo-2-(3,3-difluoropyrrolidin-1-yl)benzonitrile 1627693-40-6 (CAS 1627693-40-6)
- 3-Bromo-2-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1707358-27-7)
- 3-Bromo-4-(3,3-difluoropyrrolidin-1-yl)benzonitrile 1707706-73-7 (CAS 1707706-73-7)
- 4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1774896-26-2)
- 2-Bromo-4-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1779136-52-5)
Recommended Standards
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- (4-Bromo-3-methoxyphenyl)(trifluoromethyl)sulfane (CAS 2795101-98-1)
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