326-62-5

Basic information

• Product Name: 2-Fluorobenzyl cyanide
• Synonyms: O-FLUOROPHENYLACETONITRILE;2-fluoro-benzeneacetonitril;Acetonitrile, (o-fluorophenyl)-;o-Fluorobenzyl cyanide;2-FLUOROBENZYL CYANIDE;2-FLUOROPHENYLACETONITRILE;2-Fluorophdnylacetonitrile;2-Fluorophenylacetonitrile 2-Fluorobenzyl Cyanide o-Fluorobenzyl Cyanide
• CAS NO: 326-62-5
• Molecular Formula: C₈H₆FN
• Molecular Weight: 135.14
• EINECS: 206-313-0
• Product Categories: Fluorobenzene;Nitrile
• Mol File: 326-62-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 114-117 °C20 mm Hg(lit.)
• Flash Point: 110 °F
• Appearance: clear colorless to yellow-brownish liquid
• Density: 1.059 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0822mmHg at 25°C
• Refractive Index: n20/D 1.5009(lit.)
• Storage Temp.: Flammables area
• BRN: 1862361
• CAS DataBase Reference: 2-Fluorobenzyl cyanide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluorobenzyl cyanide(326-62-5)
• EPA Substance Registry System: 2-Fluorobenzyl cyanide(326-62-5)

Safety Data

• Hazard Codes: Xn,T,Xi,F
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36-24/25
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• TSCA: T
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 326-62-5(Hazardous Substances Data)

Usage

Description

2-Fluorobenzyl cyanide, also known as 2-Fluorophenylacetonitrile, is an organic compound with the chemical formula C8H6FN. It is a clear colorless to yellow-brownish liquid and is primarily used as a synthetic intermediate in the production of various chemical compounds.

Uses

Used in Pharmaceutical Industry:
2-Fluorobenzyl cyanide is used as a synthetic intermediate for the production of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile, which has potential applications in the development of pharmaceutical compounds.
Used in Chemical Synthesis:
2-Fluorobenzyl cyanide is used as a building block in the synthesis of various organic compounds, particularly those with fluorinated aromatic rings. Its unique chemical properties make it a valuable component in the creation of new molecules with specific characteristics and applications.

InChI:InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

Upstream product

• 462-06-6 fluorobenzene 
• 107-14-2 chloroacetonitrile 
• 95-52-3 2-Fluorotoluene 
• 75-05-8 acetonitrile 
• 61317-65-5 1-(2,2-difluorovinyl)-2-fluorobenzene 
• 773837-37-9 sodium cyanide 
• 446-50-4 1-fluoro-2-(iodomethyl)benzene 
• 446-48-0 o-fluorobenzyl bromide 
• 345-35-7 2-fluorobenzyl chloride 
• 478163-07-4 2-fluorobenzyl methanesulfonate 
• 1159505-61-9 C₈H₇F₄NO₂S 
• 446-52-6 2-Fluorobenzaldehyde 
• 140-29-4 phenylacetonitrile 
• 143-33-9 sodium cyanide 

Downstream Products

• 572-98-5 2-(2-fluoro-phenyl)-4-phenyl-acetoacetonitrile 
• 1648-00-6 <2-Fluor-phenyl>-<4'-dimethylamino-phenyl>-α-cyan-azomethin 
• 28049-63-0 1-(2-fluorophenyl)cyclobutane-1-carbonitrile 
• 106795-72-6 1-(2-fluorophenyl)cyclohexane-1-carbonitrile 
• 127667-13-4 2-[Cyano-(2-fluoro-phenyl)-methyl]-benzonitrile 
• 144037-87-6 2-(2-Fluoro-benzyl)-3,4,5,6-tetramethyl-benzonitrile 
• 100899-43-2 4-Cyano-4-(2-fluoro-phenyl)-3-p-tolyl-butyric acid ethyl ester 
• 116377-24-3 2-cyano-3-(2'-fluorobenzyl)-4-methylanisole 
• 113341-07-4 3-(4-Bromo-phenyl)-4-cyano-4-(2-fluoro-phenyl)-butyric acid ethyl ester 
• 116377-17-4 2-cyano-3-(2'-fluorobenzyl)-4-(methoxymethyl)anisole 
• 124619-26-7 (2-Fluoro-phenyl)-(6-methoxymethyl-benzo[1,3]dioxol-5-yl)-acetonitrile 
• 129319-30-8 3-cyano-4-(2'-fluorobenzyl)-2,6-dimethoxy-5-(methoxymethyl)pyridine 
• 129319-36-4 α-(2'-fluorophenyl)-2,6-dimethoxy-3-(methoxymethyl)-4-pyridylacetonitrile 
• 129319-48-8 α-(2'-fluorophenyl)-2,6-dimethoxy-3-(methoxymethyl)-3-pyridylacetonitrile 

Relevant articles and documents

Rapid and Simple Access to α-(Hetero)arylacetonitriles from Gem-Difluoroalkenes

A scalable cyanation of gem-difluoroalkenes to (hetero)arylacetonitrile derivatives was developed. This strategy features mild reaction conditions, excellent yields, wide substrate scope, and broad functional group tolerance. Significantly, in this reacti

Synthetic method of prasugrel intermediate o-fluorophenylacetic acid

The invention discloses a synthetic method of prasugrel intermediate o-fluorophenylacetic acid. The reaction process comprises the steps that (1) 2-fluorotoluene, N-halosuccinimide, an initiator and asolvent S1 are mixed uniformly, protective gas is introduced, the pressure is controlled to be 1.5-2 atmospheric pressure, the temperature is controlled to be 90-120 DEG C, stirring reaction is conducted for 1-2 h, and a mixture M1 is obtained; (2) a catalyst is mixed uniformly with a cyanide aqueous solution, the pressure is controlled to be 2-3 atmospheric pressure, the temperature is controlled to be 80-100 DEG C, the mixture M1 is added into a reaction system, then conditions are maintained to continue the reaction for 1-2 h, still standing and layering are conducted, organic phase is collected and concentrated to 1/2 of the original volume, and a mixture M2 is obtained; and (3) the mixture M2 is mixed uniformly with hydrochloric acid and glacial acetic acid, refluxing is conducted for 40-55 min, the mixture is poured into crushed ice after cooling, a solvent S2 is added for extraction, and after the organic phase is dried by a drying agent, a product is obtained by concentratingby a rotary evaporator. According to the synthetic method, safety and reliability are achieved, the production cost is low, three wastes are basically avoided, and the synthetic method is suitable forindustrial production.

PALLADIUM-CATALYZED ORTHO-FLUORINATION

A new method of ortho-fluorination where an aryl C—H bond is directly replaced by an aryl C-F bond in a palladium-catalyzed reaction is provided. The method includes the ortho-fluorination of a triflamide protected benzylamine, a palladium catalyst, such as Pd(OTf)2, a fluorinating reagent such as N-fluoro-2,4,6-trimethylpyridinium triflate, and a ligand to promote the reaction such as N-methylpyrrolidinone (NMP).