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CAS Number 147754-12-9

Fluorinated Building Blocks, Materials, Monomers

Product Code B2801-10g
Price £90 ex. VAT

A fluorinated benzonitrile building block

Used as an intermediate for the preparation of APIs and TADF emitters

Specifications | MSDS | Literature and Reviews

4-Fluoro-2-methylbenzonitrile (CAS number 147754-12-9), also referred to as 2-cyano-5-fluorotoluene, is a benzonitrile derivative with a fluorine and a methyl substituents at the 4- and 2-positions. An emitter, named as 4,4'-(9H,9'H-[3,3'-bicarbazole]-9,9'-diyl)bis(2-methylbenzonitrile), with thermally activated delayed fluorescence (TADF) characteristics is synthesised using 4-fluoro-2-methylbenzonitrile and bicarbazole through nucleophilic aromatic substitution. The presence of the methyl group enhances the thermal stability of the emitter, with an initial decomposition temperature at 447 °C. The OLED device fabricated with this TADF emitter shows exceptional current efficiency (34.5 cdA-1), power efficiency (29.9 lmW-1) and external quantum efficiency (10.8%).

4-Fluoro-2-methylbenzonitrile is also an essential building block for APIs, for instance, trelagliptin succinate used for the treatment of type II diabetes.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzonitrile building block

For drug discovery, TADF dyes, OLEDs research

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High purity 147754-12-9

High purity

>97% High purity

General Information

CAS Number 147754-12-9
Chemical Formula C8H6FN
Full Name 4-Fluoro-2-methylbenzonitrile
Molecular Weight 135.14 g/mol
Synonyms 2-Cyano-5-fluorotoluene, 4-Fluoro-o-tolunitrile
Classification / Family Fluorinated building blocks, Benzonitrile building blocks, APIs, OLEDs, TADF

Chemical Structure

4-Fluoro-2-methylbenzonitrile chemical structure, CAS 147754-12-9.
4-Fluoro-2-methylbenzonitrile chemical structure, CAS 147754-12-9

Product Details

Purity 97%
Melting Point Tm = 70 °C – 74 °C
Appearance White powder/crystals

MSDS Documentation

4-Fluoro-2-methylbenzonitrile4-Fluoro-2-methylbenzonitrile MSDS Sheet

Literature and Reviews

  1. Synthesis of trelagliptin succinate, S. Xu et al., OPR&D, 21(4), 585–589(2017); DOI: 10.1021/acs.oprd.7b00013.
  2. Alkyl effects on the optoelectronic properties of bicarbazole/cyanobenzene hybrid host materials: double delayed fluorescent host/dopant systems in solution-processed OLEDs, X. Cao et al., Dyes Pigm., 136, 543–552(2017); DOI: 10.1016/j.dyepig.2016.09.008.
  3. Discovery of aryloxy tetramethylcyclobutanes as novel androgen receptor antagonists, C. Guo et al., J. Med. Chem., 54, 7693–7704(2011); DOI: 10.1021/jm201059s.
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