459-22-3

Basic information

• Product Name: 4-Fluorophenylacetonitrile
• Synonyms: P-FLUOROBENZYL CYANIDE;P-FLUOROPHENYLACETONITRILE;PARA-FLUOROBENZYL CYANIDE;(p-fluorophenyl)-acetonitril;4-fluoro-benzeneacetonitril;4-Fluorobenzeneacetonitrile;4-Fluorophenylaceticacidnitrile;Acetonitrile, (p-fluorophenyl)-
• CAS NO: 459-22-3
• Molecular Formula: C₈H₆FN
• Molecular Weight: 135.14
• EINECS: 207-286-8
• Product Categories: Aromatic Nitriles;Nitrile;Fluorobenzene
• Mol File: 459-22-3.mol

Chemical Properties

• Melting Point: 86°C
• Boiling Point: 119-120 °C18 mm Hg(lit.)
• Flash Point: 227 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.126 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0535mmHg at 25°C
• Refractive Index: n20/D 1.5002(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• BRN: 1907764
• CAS DataBase Reference: 4-Fluorophenylacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluorophenylacetonitrile(459-22-3)
• EPA Substance Registry System: 4-Fluorophenylacetonitrile(459-22-3)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-20/21/22/36/37/38-20/20/22
• Safety Statements: 26-36-24/25-26/36/37/39
• RIDADR: UN 3276 6.1/PG 3
• WGK Germany: 3
• RTECS: AM0210000
• TSCA: T
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 459-22-3(Hazardous Substances Data)

Usage

Description

4-Fluorophenylacetonitrile, also known as 4-fluorophenylacetonitrile, is an organic compound that serves as a starting reagent in the synthesis of various chemical compounds, particularly 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives. It is characterized by its clear light yellow liquid appearance and plays a crucial role in the pharmaceutical and chemical industries due to its versatile reactivity and potential applications.

Uses

Used in Pharmaceutical Industry:
4-Fluorophenylacetonitrile is used as a starting reagent for the synthesis of 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives, which are important in the development of new pharmaceutical compounds. These derivatives have potential applications in the treatment of various medical conditions, making 4-Fluorophenylacetonitrile a valuable component in the drug discovery process.
Used in Chemical Synthesis:
In the chemical industry, 4-Fluorophenylacetonitrile is used as an intermediate in the synthesis of various organic compounds. Its unique chemical properties, such as its clear light yellow liquid appearance, make it a versatile building block for creating a wide range of products, including pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Research and Development:
4-Fluorophenylacetonitrile is also utilized in research and development laboratories for the exploration of new chemical reactions and the development of innovative synthetic methods. Its reactivity and structural features make it an attractive candidate for studying various aspects of organic chemistry, such as reaction mechanisms, stereochemistry, and catalyst design.

Biochem/physiol Actions

4-Fluorophenylacetonitrile undergoes biotransformation to 4-Fluorophenylacetic acid by marine fungi, Aspergillus sydowii Ce19.

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