171050-06-9

Basic information

• Product Name: 3-Cyano-4-fluorobenzoic acid
• Synonyms: 5-Carboxy-2-fluorobenzonitrile;4-Fluoro-3-cyanobenzoic acid
• CAS NO: 171050-06-9
• Molecular Formula: C₈H₄FNO₂
• Molecular Weight: 165.12
• Product Categories: Fluorine series
• Mol File: 171050-06-9.mol
• Article Data: 16

Chemical Properties

• Melting Point: 187-188 °C
• Boiling Point: 322.4 °C at 760 mmHg
• Flash Point: 148.8 °C
• Appearance: /
• Density: 1.42 g/cm³
• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.58±0.10(Predicted)
• CAS DataBase Reference: 3-Cyano-4-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyano-4-fluorobenzoic acid(171050-06-9)
• EPA Substance Registry System: 3-Cyano-4-fluorobenzoic acid(171050-06-9)

Safety Data

• Hazardous Substances Data: 171050-06-9(Hazardous Substances Data)

Usage

General Description

3-Cyano-4-fluorobenzoic acid is a chemical compound with the molecular formula C8H4FNO2. It is a derivative of benzoic acid and contains a cyano and fluorine functional group. 3-Cyano-4-fluorobenzoic acid is used in organic synthesis as a building block for the development of pharmaceuticals, agrochemicals, and materials. It exhibits antibacterial and antifungal properties, making it useful in the development of new drugs and treatments. Additionally, it can be used in the production of dyes, pigments, and polymers due to its unique chemical properties. 3-Cyano-4-fluorobenzoic acid is a versatile compound with potential applications in various industries.

InChI:InChI=1/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)

Upstream product

• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 64113-84-4 2-fluoro-5-methylbenzonitrile 
• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 201230-82-2 carbon monoxide 
• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 

Downstream Products

• 676602-31-6 3-cyano-4-fluorobenzoic acid methyl ester 
• 1021905-41-8 N³-(3-(N-(3-cyano-4-[¹⁹F]-fluorobenzoyl))amino-propyl)-O,O-bis-(1'-methoxy-1'-cyclohexyl) thymidine 
• 1258855-50-3 1,1-dimethylethyl 7-(5-{3-cyano-4-[(1-methylethyl)amino]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 
• 1258855-49-0 2-[(1-methylethyl)amino]-5-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 
• 1258855-53-6 1,1-dimethylethyl 7-{5-[3-cyano-4-(propylamino)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 
• 1258855-52-5 2-(propylamino)-5-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 
• 1258855-55-8 1,1-dimethylethyl 7-{5-[3-cyano-4-(propyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 
• 1258855-54-7 2-(propyloxy)-5-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 
• 1258855-56-9 1,1-dimethylethyl {2-[7-(5-{3-cyano-4-[(1-methylethyl)amino]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]-2-oxoethyl}carbamate 
• 1258855-57-0 1,1-dimethylethyl [2-(7-{5-[3-cyano-4-(propylamino)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-2-oxoethyl]carbamate 
• 1258855-59-2 2-{[2-fluoro-1-(fluoromethyl)ethyl]oxy}-5-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 
• 1258855-58-1 1,1-dimethylethyl (2-{7-[5-(3-cyano-4-{[2-fluoro-1-(fluoromethyl)ethyl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl}-2-oxoethyl)carbamate 
• 1258855-60-5 1,1-dimethylethyl 7-[5-(3-cyano-4-{[2-fluoro-l-(fluoromethyl)ethyl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahyd ro-3H-3-benzazepi ne-3-carboxyl ate 
• 1258855-62-7 1,1-dimethylethyl 7-{5-[3-cyano-4-(3-fluoro-1-pyrrolidinyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 

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