146137-79-3

Basic information

• Product Name: 5-CYANO-2-FLUOROBENZALDEHYDE
• Synonyms: 5-CYANO-2-FLUOROBENZALDEHYDE;4-FLUORO-3-FORMYL-BENZONITRILE;Benzonitrile, 4-fluoro-3-formyl- (9CI);3-Cyano-6-fluorobenzaldehyde;Benzonitrile, 4-fluoro-3-forMyl-
• CAS NO: 146137-79-3
• Molecular Formula: C₈H₄FNO
• Molecular Weight: 149.12
• Product Categories: HALIDE;ALDEHYDE;Benzaldehyde;Miscellaneous;Benzenes
• Mol File: 146137-79-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 216.47 °C at 760 mmHg
• Flash Point: 84.719 °C
• Appearance: /
• Density: 1.25 g/cm³
• Vapor Pressure: 0.14mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 5-CYANO-2-FLUOROBENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CYANO-2-FLUOROBENZALDEHYDE(146137-79-3)
• EPA Substance Registry System: 5-CYANO-2-FLUOROBENZALDEHYDE(146137-79-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 146137-79-3(Hazardous Substances Data)

Usage

General Description

5-CYANO-2-FLUOROBENZALDEHYDE is a chemical compound with the molecular formula C8H5FNO. It is a pale yellow to light brown liquid that is primarily used in the synthesis of pharmaceuticals and agrochemicals. 5-CYANO-2-FLUOROBENZALDEHYDE is also used as an intermediate in the production of various other organic chemicals. It is important to handle 5-CYANO-2-FLUOROBENZALDEHYDE with care, as it can be harmful if ingested, inhaled, or comes into contact with skin. Proper safety measures and protective equipment should be used when working with this chemical.

InChI:InChI=1/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H

Upstream product

• 1194-02-1 4-fluorobenzonitrile 
• 68-12-2 N,N-dimethyl-formamide 
• 93777-26-5 5-bromo-2-fluorobenzaldehyde 
• 93-61-8 N-methyl-N-phenylformamide 
• 14221-01-3 tetrakis(triphenylphosphine) palladium⁽⁰⁾ 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 146137-93-1 methyl 5-cyanobenzo[b]thiophene-2-carboxylate 
• 74626-47-4 1H-indazole-5-carbonitrile 
• 871709-86-3 4-fluoro-3-(hydroxyimino-methyl)-benzonitrile 
• 1351861-90-9 C₁₄H₉Cl₂NO₂ 
• 1351862-58-2 4-(2,5-dichlorophenoxy)-3-((pyridin-4-ylmethoxy)methyl)benzonitrile 
• 267875-53-6 4-fluoro-3-(1-hydroxyethyl)benzonitrile 
• 189107-45-7 1-methyl-1H-indazole-5-carbonitrile 
• 146328-87-2 2-fluoro-5-cyanobenzoic acid 
• 773884-36-9 4-fluoro-3-(1-hydroxy-3-phenylpropyl)benzonitrile 
• 189107-44-6 1-phenyl-1H-indazole-5-carbonitrile 
• 310464-93-8 N-(2'-tert-butylsulfamoyl-biphenyl-4-yl)-3-(5-cyano-2-fluoro-phenyl)-acrylamide 
• 544694-79-3 4-{4-[(5-carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-ethoxycarbonylmethanesulfonyl-amino]-phenoxy}-piperidine-1-carboxylic acid tert-butyl ester 
• 364614-55-1 ((5-carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid ethyl ester 

Relevant articles and documents

Synthesis of 5-cyanoindazole and 1-methyl and 1-aryl-5-cyanoindazoles

5-Cyanoindazoles are conveniently prepared in two to three steps from commercially available 5-bromo-2-fluorobenzaldehyde.

A 3 - ethyl -4 - fluoro phenyl nitrile of preparation method (by machine translation)

The invention discloses a 3 - ethyl - 4 - fluoro phenyl nitrile of preparation method, the method to the fluoro phenyl nitrile as the starting material, through the hydroformylation, Wittig reaction, obtaining the catalytic hydrogenation. (by machine tran

Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents

A 5-μM docking hit has been optimized to an extraordinarily potent (55 pM) non-nucleoside inhibitor of HIV reverse transcriptase. Use of free energy perturbation (FEP) calculations to predict relative free energies of binding aided the optimizations by identifying optimal substitution patterns for phenyl rings and a linker. The most potent resultant catechol diethers feature terminal uracil and cyanovinylphenyl groups. A halogen bond with Pro95 likely contributes to the extreme potency of compound 42. In addition, several examples are provided illustrating failures of attempted grafting of a substructure from a very active compound onto a seemingly related scaffold to improve its activity. (Figure presented)