170572-49-3

Basic information

• Product Name: 3-Fluoro-4-methylbenzonitrile
• Synonyms: 3-FLUORO-P-TOLUNITRILE;3-FLUORO-4-METHYLBENZONITRILE;4-CYANO-2-FLUOROTOLUENE;Benzonitrile, 3-fluoro-4-methyl- (9CI);3-Fluoro-4-methylbenzonitrile 98%;3-Fluoro-4-methylbenzonitrile98%;3-Fluoro-p-tolunitrile (CN=1);4-Cyano-2-fluoro-1-methylbenzene
• CAS NO: 170572-49-3
• Molecular Formula: C₈H₆FN
• Molecular Weight: 135.14
• Product Categories: Fluorin-contained Benzonitrile series;HALIDE;NITRILE;Aromatic Nitriles;Phenyls & Phenyl-Het;Benzene nitrile;Miscellaneous;Phenyls & Phenyl-Het
• Mol File: 170572-49-3.mol
• Article Data: 16

Chemical Properties

• Melting Point: 47-51 °C
• Boiling Point: 204°C
• Flash Point: 182 °F
• Appearance: white to light yellow crystal powder
• Density: 1.11 g/cm³
• Vapor Pressure: 0.151mmHg at 25°C
• Refractive Index: 1.508
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 7700177
• CAS DataBase Reference: 3-Fluoro-4-methylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-4-methylbenzonitrile(170572-49-3)
• EPA Substance Registry System: 3-Fluoro-4-methylbenzonitrile(170572-49-3)

Safety Data

• Hazard Codes: Xi,T
• Statements: 41
• Safety Statements: 26-39
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 170572-49-3(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

Upstream product

• 177756-62-6 3-fluoro-4-methylbenzaldehyde 
• 59189-97-8 3-fluoro-4-methylbenzoic acid chloride 
• 51436-99-8 2-fluoro-4-bromotoluene 
• 544-92-3 copper(I) cyanide 
• 104-85-8 para-methylbenzonitrile 
• 350-28-7 3-fluoro-4-methyl-benzoic acid 
• 192702-79-7 (3-fluoro-4-methylphenyl)methanol 
• 121-44-8 triethylamine 
• 76-02-8 trifluoroacetyl chloride 
• 170726-98-4 3-fluoro-4-methylbenzamide 
• 95-52-3 2-Fluorotoluene 
• 75-05-8 acetonitrile 
• 1359827-65-8 diethyl 2-(4-cyano-2-fluorophenyl)-1,3-propanedioate 
• 942282-44-2 methyl 2-(4-cyano-2-fluorophenyl)acetate 

Downstream Products

• 105942-09-4 4-(bromomethyl)-3-fluorobenzonitrile 
• 164149-28-4 4-cyano-2-fluorobenzoic acid 
• 749838-18-4 C₁₆H₁₆FN₃O₂ 
• 105942-10-7 3-fluoro-4-formylbenzonitrile 
• 1354963-08-8 4-(aminomethyl)-3-fluorobenzonitrile hydrochloride 
• 1027290-08-9 (S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 4-cyano-2-fluoro-benzylamide 
• 1026433-31-7 C₂₈H₂₈FN₅O₄S 
• 329744-59-4 3-fluoro-4-[(1E,3E)-5-oxopenta-1,3-dien-1-yl]-benzonitrile 
• 329744-58-3 diethyl 4-cyano-2-fluorobenzylphosphonate 
• 329744-44-7 4-[(1E,3E)-4-[trans-5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]thio]-1,3-dioxan-2-yl]-1,3-butadienyl]-3-fluorobenzonitrile 

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.

Preparation method of arylmethane compound

The invention discloses a preparation method of an arylmethane compound. The preparation method of the arylmethane compound I comprises that a compound I-2 undergoes a de-esterification reaction in anorganic solvent under action of calcium chloride and water at a reaction temperature of 130 DEG C to the solvent boiling point to produce the compound I, wherein R' and R respectively represent anyone of methyl, ethyl, isopropyl and t-butyl, n is 0 or 1, R1, R2, R3, R4 and R5 respectively represent H or an electron-withdrawing group and at least one of the groups is an electron-withdrawing group. The preparation method utilizes easily available raw materials, realizes a low cost, produces few three wastes, has safe processes and is suitable for industrial production.

Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles

The utility of the nitrogen extrusion reaction of azido complexes, generated in situ from the corresponding aldehydes or ketones with TMSN3 in the presence of ZrCl4 or TfOH, has been described. These azido complexes could undergo three different pathways, depending on the substrates. First, azido methanolate complexes or imine diazonium ions could lead to benzisoxazole products via an intramolecular nucleophilic substitution. Second, imine diazonium ions could also undergo either the elimination of proton to provide nitrile products in good to excellent yields or an aryl migration, followed by an intramolecular nucleophilic addition, to give benzoxazole products in good yields.