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 
• 105942-10-7 3-fluoro-4-formylbenzonitrile 
• 368426-24-8 3-fluoro-4-(azidomethyl)benzonitrile 
• 368426-25-9 4-azidomethyl-3-fluoro-N-hydroxy-benzamidine 
• 368426-27-1 4-aminomethyl-3-fluoro-N-propoxy-benzamidine 
• 368426-26-0 4-azidomethyl-3-fluoro-N-propoxy-benzamidine 
• 1026237-46-6 2-(3-Fluoro-4-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-ol 
• 1164205-16-6 (4R)-4-{4-cyano-2-[(1-methylethyl)sulfonyl]phenyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 
• 1164204-02-7 (4S)-4-{4-cyano-2-[(1-methylethyl)sulfonyl]phenyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 
• 1164205-15-5 (4R)-4-[4-cyano-2-((2-hydroxyethyl)sulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 
• 1164203-95-5 (4S)-4-[4-cyano-2-((2-hydroxyethyl)sulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 
• 1164203-03-5 C₂₇H₂₃F₃N₆O₅S₂ 
• 1164202-30-5 C₂₆H₂₂F₃N₅O₄S₂ 

Relevant articles and documents

Preparation method of 3-fluoro-4-methylbenzonitrile

The invention discloses a preparation method of 3-fluoro-4-methylbenzonitrile. The method comprises the steps: (1) condensing a compound as shown in a formula B and a compound as shown in a formula Cto obtain a mixture D; and (2) mixing the mixture D with

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.

Acetonitrile as a cyanating reagent: Cu-catalyzed cyanation of arenes

A novel approach to the Cu-catalyzed cyanation of simple arenes using acetonitrile as an attractive cyano source has been documented. The C-H functionalization of arenes without directing groups involves a sequential iodination/cyanation to give the desired aromatic nitriles in good yields. A highly efficient Cu/TEMPO system for acetonitrile C-CN bond cleavage has been discovered. TEMPO is used as a cheap oxidant and enables the reaction to be catalytic in copper. Moreover, TEMPOCH2CN 6 has been identified as the active cyanating agent and shows high reactivity for forming the -CN moiety.