723294-75-5

Basic information

• Product Name: 3-FLUORO-5-IODOBENZONITRILE
• Synonyms: benzonitrile, 3-fluoro-5-iodo-
• CAS NO: 723294-75-5
• Molecular Formula: C₇H₃FIN
• Molecular Weight: 247.01
• Product Categories: Nitrile;Fluorine Compounds;Iodine Compounds;Nitriles;Fluorine series
• Mol File: 723294-75-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 29-30℃
• Boiling Point: 251℃
• Flash Point: 105℃
• Appearance: /
• Density: 1.98
• Vapor Pressure: 0.0216mmHg at 25°C
• Refractive Index: 1.63
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 3-FLUORO-5-IODOBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-5-IODOBENZONITRILE(723294-75-5)
• EPA Substance Registry System: 3-FLUORO-5-IODOBENZONITRILE(723294-75-5)

Safety Data

• Hazardous Substances Data: 723294-75-5(Hazardous Substances Data)

Usage

General Description

3-Fluoro-5-iodobenzonitrile is a chemical compound with the molecular formula C7H3FIN. It is a potent and versatile building block in organic synthesis, particularly in the pharmaceutical industry. 3-FLUORO-5-IODOBENZONITRILE is commonly used as an intermediate in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique combination of functional groups makes it highly valuable for the synthesis of complex organic molecules. Additionally, it is known for its ability to undergo various chemical reactions, including substitution, coupling, and cross-coupling reactions, making it an important component in the development of new drugs and other useful compounds.

InChI:InChI=1/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Upstream product

• 210992-28-2 3-amino-5-fluoro-benzonitrile 

Downstream Products

• 1262778-27-7 3-[(2-aminothiazol-4-yl)ethynyl]-5-fluorobenzonitrile 
• 1262778-31-3 3-((2-chlorothiazol)-4-ylethynyl)-5-fluorobenzonitrile 
• 1262778-34-6 3-((2-bromothiazol-4-yl)ethynyl)-5-fluorobenzonitrile 
• 1262778-38-0 3-((2-iodothiazol-4-yl)ethynyl)-5-fluorobenzonitrile 
• 1262778-42-6 3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile 
• 1262778-47-1 3-((2-chlorothiazol)-4-ylethynyl)-5-fluorobenzonitrile 
• 1262778-46-0 3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile 

Relevant articles and documents

Syntheses of 2-amino and 2-halothiazole derivatives as high-affinity metabotropic glutamate receptor subtype 5 ligands and potential radioligands for in vivo imaging

The structure of the potent selective mGlu5 ligand, SP203 (1, 3-fluoro-5-[[2-(fluoromethyr)thiazol-4-yl]ethynyl]benzonitrile), was modified by replacing the 2-fluoromethyl substituent with an amino or halo substituent and by variation of substituents in the distal aromatic ring to provide a series of new high-affinity mGlu5 ligands. In this series, among the most potent ligands obtained, the 2-chloro-thiazoles 7a and 7b and the 2-fluorothiazole 10b showed subnanomolar mGlu5 affinity. 10b also displayed >10000-fold selectivity over all other metabotropic receptor subtypes plus a wide range of other receptors and binding sites. The 2-fluorothiazoles 10a and 10b were labeled using [18F]fluoride ion (t1/2 = 109.7 minin moderately high radiochemical yield to provide potential radioligands that may resist troublesome radiodefluorination during the imaging of brain mGlu 5 with position emission tomography. The iodo compound 9b has nanomolar affinity for mGlu5 and may also serve as a lead to a potential 123I-labeled ligand for imaging brain mGlu5 with single photon emission computed tomography.