57381-56-3 | 2-Chloro-5-fluorobenzonitrile

CAS:57381-56-3 | 2-Chloro-5-fluorobenzonitrile,Description

2-Chloro-5-fluorobenzonitrile is a compound with the molecular weight of 155.56. It appears as a white to almost white powder or crystal.

Molecular Structure Analysis

The InChI code for 2-Chloro-5-fluorobenzonitrile is 1S/C7H3ClFN/c8-7-2-1-6 (9)3-5 (7)4-10/h1-3H. The X-ray diffraction analysis indicates that its crystals belong to the monoclinic crystal system and P 2 1 / c space group.

Physical And Chemical Properties Analysis

2-Chloro-5-fluorobenzonitrile is a solid at 20 degrees Celsius. It is soluble in methanol.

Scientific Research Applications

General Use of 2-Chloro-5-fluorobenzonitrile

• Scientific Field : Organic Chemistry
• Application Summary : 2-Chloro-5-fluorobenzonitrile is a chemical compound used as a building block in organic synthesis. It is often used in the production of more complex organic compounds.
• Results or Outcomes : The outcomes also depend on the specific reactions being carried out. In general, the use of 2-Chloro-5-fluorobenzonitrile can help to introduce chloro and fluoro groups into an organic molecule, which can significantly alter the molecule’s properties.

Use in OLED Applications

• Scientific Field : Material Science
• Application Summary : A similar compound, 2-Bromo-5-fluorobenzonitrile, is used as a precursor for the synthesis of thermally activated delayed fluorescence (TADF) dyes in OLED applications.
• Application Methods : The compound is synthesized with phenoxazines, carbazoles, or acridan in a two-step reaction that includes nucleophilic aromatic substitution and Buchwald-Hartwig amination.
• Results or Outcomes : The resulting OLED device shows a maximum current efficiency of 16.3 cdA -1, a maximum powder efficiency of 12.2 lmW -1, and an external quantum efficiency of 5%.

Synthesis of Aminobenzo[b]thiophene

• Scientific Field : Organic Chemistry
• Application Summary : 5-Chloro-2-fluorobenzonitrile, a similar compound, can be used in the synthesis of aminobenzo[b]thiophene. The resulting product is used as a kinase inhibitor and has enormous potential for further derivatization to achieve tailored binding affinity.
• Application Methods : The compound is synthesized with ethyl mercaptoacetate under basic conditions.
• Results or Outcomes : The resulting product is used as a kinase inhibitor.

Preparation of Aryl Ether Inhibitors

• Scientific Field : Medicinal Chemistry
• Application Summary : 5-Chloro-2-fluorobenzonitrile is also employed in the preparation of aryl ether inhibitors of Bacillus anthracis enoyl–ACP reductase.
• Application Methods : The specific methods of application can vary widely depending on the desired end product.
• Results or Outcomes : The outcomes also depend on the specific reactions being carried out.

Synthesis of Methyl 3-Amino-5-chlorobenzo[b]thiophene-2-carboxylate

• Scientific Field : Organic Chemistry
• Application Summary : 5-Chloro-2-fluorobenzonitrile, a similar compound, can be used in the synthesis of methyl 3-amino-5-chlorobenzo[b]thiophene-2-carboxylate.
• Application Methods : The compound is synthesized with methyl thioglycolate and triethylamine via microwave-assisted synthesis.
• Results or Outcomes : The resulting product is used as a kinase inhibitor and has enormous potential for further derivatization to achieve tailored binding affinity.

Synthesis of 2-(N,N-Dialkylamino)benzylamines

• Scientific Field : Organic Chemistry
• Application Summary : 2-Fluorobenzonitrile, another similar compound, reacts with lithium N,N-dialkylaminoborohydride reagent to yield 2-(N,N-dialkylamino)benzylamines.
• Application Methods : The specific methods of application can vary widely depending on the desired end product.
• Results or Outcomes : The outcomes also depend on the specific reactions being carried out.

Safety And Hazards

2-Chloro-5-fluorobenzonitrile is classified as dangerous. It is toxic if swallowed and causes skin and eye irritation. Precautionary measures include avoiding breathing its dust/fume/gas/mist/vapors/spray, washing thoroughly after handling, and wearing protective gear.

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