2-Bromo-5-fluorobenzonitrile (CAS 57381-39-2) is a fluorinated benzonitrile building block carrying bromine at the 2-position and fluorine at the 5-position. It is supplied as a white powder or crystals with a purity above 98%, for research in drug discovery, TADF dyes and OLEDs.
Because the two halogens react differently, chemists can address each site selectively. The fluoride is suited to nucleophilic aromatic substitution, while the bromide takes part in Pd-catalysed coupling reactions. This route has been used to prepare the TADF emitter 2-phenoxazine-5-acridine-benzonitrile in two steps, combining nucleophilic aromatic substitution with Buchwald-Hartwig amination using phenoxazines, carbazoles or acridan. An OLED built with this dye reached a maximum current efficiency of 16.3 cdA-1, a maximum power efficiency of 12.2 lmW-1 and an external quantum efficiency of 5%.
The nitrile and bromide groups sit ortho to each other, which makes the compound a convenient starting point for quinazolines investigated for antitumour and anti-inflammatory use.
- Precursor for thermally activated delayed fluorescence (TADF) dyes used in OLED devices.
- Synthesis of quinazolines as active pharmaceutical ingredients for antitumour and anti-inflammatory research.
- Selective nucleophilic aromatic substitution at the fluoride position.
- Pd-catalysed coupling reactions, including Buchwald-Hartwig amination, at the bromide position.
- General fluorinated building block for drug discovery.
| Brand | Ossila |
|---|---|
| CAS number | 57381-39-2 |
| Molecular formula | C7H3BrFN |
| Purity | >98% |
| Category | — |
| Pack sizes | 10 g, 25 g, 50 g |
| Physical form | White powder/crystals |
| Storage | — |
- Product code: B2851
- Molecular Weight: 200.01 g/mol
- Melting Point: 92 °C – 95 °C
- Classification / Family: Fluorinated building blocks, Benzonitrile building blocks, TADF, OLEDs, APIs
—
—