4-Fluoro-2-methylbenzonitrile (CAS 147754-12-9), also known as 2-cyano-5-fluorotoluene, is a fluorinated benzonitrile building block supplied by Ossila as a white powder or crystals with >97% purity. The molecule carries a fluorine atom at the 4-position and a methyl group at the 2-position of the benzonitrile ring, giving several functional groups for straightforward synthesis.
In materials research, it serves as a starting material for a TADF emitter, 4,4'-(9H,9'H-[3,3'-bicarbazole]-9,9'-diyl)bis(2-methylbenzonitrile), prepared by nucleophilic aromatic substitution with bicarbazole. The methyl group improves the emitter's thermal stability, with decomposition beginning at 447 °C. OLEDs built with this emitter reached a current efficiency of 34.5 cdA-1, a power efficiency of 29.9 lmW-1 and an external quantum efficiency of 10.8%.
In pharmaceutical chemistry, the compound is a key intermediate for active pharmaceutical ingredients such as trelagliptin succinate, a treatment for type II diabetes.
- Intermediate in the synthesis of APIs such as trelagliptin succinate.
- Precursor for bicarbazole-based TADF emitters via nucleophilic aromatic substitution.
- Building block for OLED materials research.
- Fluorinated building block for drug discovery programmes.
| Brand | Ossila |
|---|---|
| CAS number | 147754-12-9 |
| Molecular formula | C8H6FN |
| Purity | >97% |
| Category | — |
| Pack sizes | 10 g, 25 g, 50 g |
| Physical form | White powder/crystals |
| Storage | — |
- Product code: B2801
- Molecular Weight: 135.14 g/mol
- Synonyms: 2-Cyano-5-fluorotoluene, 4-Fluoro-o-tolunitrile
- Melting Point: 70 °C – 74 °C
- Classification / Family: Fluorinated building blocks, Benzonitrile building blocks, APIs, OLEDs, TADF
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