4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)benzonitrile CAS 1774896-26-2
| CAS No. | 1774896-26-2 |
| Molecular Formula | C11H9BrF2N2 |
| Molecular Weight | 287.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1774896-26-2) is a high-purity analytical reference standard with the molecular formula C11H9BrF2N2 and a molecular weight of 287.10 g/mol.
The molecular framework of 4-Bromo-2-(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. 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-(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)
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- 2-Bromo-6-(3,3-difluoropyrrolidin-1-yl)benzonitrile (CAS 1779136-59-2)
Recommended Standards
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- (4-Bromo-2-(trifluoromethoxy)phenyl)(methyl)sulfane (CAS 647856-10-8)
- 2-(4-chloro-2-nitrophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CAS 1152521-09-9)
- 4-(Pyridin-2-ylmethyl)oxane-4-carboxylic acid (CAS 1393330-60-3)
- 2-[(3-Trifluoromethyl-phenylcarbamoyl)-methoxy]-benzoic acid (CAS 438029-98-2)
- Diclazuril Impurity G (CAS 1798004-50-8)
- 1-(3-Bromo-2-hydroxy-5-nitrophenyl)ethanone (CAS 90004-97-0)
- 3-(Dipropylamino)-1,2-dihydroquinoxalin-2-one (CAS 731795-56-5)
- 6-isopropylpyridazine-3-sulfonyl chloride (CAS 2168286-99-3)
- 2-Bromo-4-methoxypyridin-3-ol (CAS 1561783-91-2)
- Cichoric Acid (CAS 6537-80-0)
- Galanin-Like Peptide (porcine) trifluoroacetate salt (CAS 245114-96-9)
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