5-Chloro-1-(4-fluorophenyl)indole

Ref. 3D-FC19957

Product Information

• Name: 5-Chloro-1-(4-fluorophenyl)indole
• Synonyms: 1-(4-Fluorophenyl)-5-chloroindole5-Chloro-1-(4-fluorophenyl)-1H-indole
• Brand: Biosynth
• Description: 5-Chloro-1-(4-fluorophenyl)indole (5CFI) is an atypical imidazole that is used in the production of surfactants. 5CFI is not commercially available, but can be synthesized from recycled starting materials. The synthesis of 5CFI starts with the reaction of 4-fluorobenzaldehyde and chloroacetone to form a nitrile. This nitrile reacts with copper(II) chloride and hydrochloric acid to form 5CFI as a byproduct. The yield of 5CFI varies depending on the reaction conditions, such as the concentration of reactants, temperature, and pressure; optimization of these parameters can be achieved by studying the impurities present in the final product. The profile of impurities present in 5CFI can also be determined by using gas chromatography/mass spectrometry (GC/MS). Impurities that may be present include copper salts, sol

Chemical properties

• Molecular weight: 245.68 g/mol
• Formula: C₁₄H₉ClFN
• Purity: Min. 95%
• InChI: InChI=1S/C14H9ClFN/c15-11-1-6-14-10(9-11)7-8-17(14)13-4-2-12(16)3-5-13/h1-9H
• InChI key: InChIKey=JYEKQDWSLSXYTJ-UHFFFAOYSA-N
• SMILES: Fc1ccc(-n2ccc3cc(Cl)ccc32)cc1