867367-02-0

Basic information

• Product Name: 3,5-diMethyl-4-fluorobenzonitrile
• Synonyms: 3,5-diMethyl-4-fluorobenzonitrile;5-Cyano-2-fluoro-m-xylene
• CAS NO: 867367-02-0
• Molecular Formula: C₉H₈FN
• Molecular Weight: 149.1649232
• Mol File: 867367-02-0.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3,5-diMethyl-4-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-diMethyl-4-fluorobenzonitrile(867367-02-0)
• EPA Substance Registry System: 3,5-diMethyl-4-fluorobenzonitrile(867367-02-0)

Safety Data

• Hazardous Substances Data: 867367-02-0(Hazardous Substances Data)

Usage

General Description

3,5-dimethyl-4-fluorobenzonitrile is a chemical compound with the molecular formula C9H8FN. It is a colorless to pale yellow liquid with a strong aromatic odor. 3,5-diMethyl-4-fluorobenzonitrile is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as in the production of dyes and pigments. It is also employed as a building block in the manufacturing of various organic compounds. Additionally, 3,5-dimethyl-4-fluorobenzonitrile exhibits some biological activity, making it potentially useful in the development of new drugs and therapeutic agents. However, it is important to handle this chemical with caution, as it may have harmful effects if not used properly or in high concentrations.

InChI:InChI=1S/C9H8FN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3

Upstream product

• 557-21-1 zinc(II) cyanide 
• 1147894-98-1 2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 955929-58-5 4-cyano-2,6-dimethylphenyl trifluoromethanesulfonate 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 
• 99-93-4 4-Hydroxyacetophenone 
• 7321-55-3 2,2-dimethylmalononitrile 
• 99725-44-7 3,5-dimethyl-4-fluoro-1-bromobenzene 
• 443-88-9 2-fluoro-m-xylene 

Downstream Products

• 1056155-67-9 C₁₉H₁₈ClNO₃ 

Relevant articles and documents

Dual Ligand-Enabled Nondirected C-H Cyanation of Arenes

Aromatic nitriles are key structural units in organic chemistry and, therefore, highly attractive targets for C-H activation. Herein, the development of an arene-limited, nondirected C-H cyanation based on the use of two cooperatively acting commercially available ligands is reported. The reaction enables the cyanation of arenes by C-H activation in the absence of directing groups and is therefore complementary to established approaches.

Phosphine-Ligated Palladium Sulfonate Palladacycles

Described are palladium precatalysts, and methods of making and using them. The palladium precatalysts show improved stability and improved reactivity in comparison to previously-described palladium precatalysts.

Accelerating palladium-catalyzed C-F bond formation: Use of a microflow packed-bed reactor

A flow process for Pd-catalyzed C-F bond formation is described. A microreactor with a packed-bed design allows for easy handling of large quantities of insoluble CsF with precise control over reaction times, efficient mixing, and the ability to safely handle elevated temperatures and pressures. A variety of aryl triflates, including heteroaryl ones, were converted into aryl fluorides in short reaction times (see scheme).