63089-50-9

Basic information

• Product Name: 4-Methylphthalonitrile
• Synonyms: 3,4-DICYANOTOLUENE;1,2-DICYANO-4-METHYLBENZENE;4-METHYLPHTHALONITRILE;4-Methylphthalonirile98%;1,2-Benzenedicarbonitrile, 4-methyl-;4-METHYLPHTHALONITRILE 98%;4-Methyl-1,2-benzenedicarbonitrile;4-Methylphthalonitrile,99%
• CAS NO: 63089-50-9
• Molecular Formula: C₉H₆N₂
• Molecular Weight: 142.16
• Product Categories: Functional Materials;Phthalonitriles & Naphthalonitriles;Phthalonitriles (Building Blocks for Phthalocyanines);M;Stains and Dyes;Stains&Dyes, A to;Aromatic;methylbenzene
• Mol File: 63089-50-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 119-121 °C(lit.)
• Boiling Point: 249.72°C (rough estimate)
• Flash Point: 163.5 °C
• Appearance: WHITE TO OFF-WHITE SOLID, POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Density: 1.1777 (rough estimate)
• Vapor Pressure: 0.000209mmHg at 25°C
• Refractive Index: 1.6211 (estimate)
• Storage Temp.: room temp
• CAS DataBase Reference: 4-Methylphthalonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylphthalonitrile(63089-50-9)
• EPA Substance Registry System: 4-Methylphthalonitrile(63089-50-9)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36-36/37
• WGK Germany: 3
• Hazardous Substances Data: 63089-50-9(Hazardous Substances Data)

Usage

Chemical Properties

White to off-white crystalline powder

InChI:InChI=1/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3

Upstream product

• 5925-93-9 2-amino-5-methylbenzonitrile 
• 26830-96-6 5-methyl-2-cyanoaniline 
• 75-76-3 tetramethylsilane 
• 10347-14-5 2-cyano-1,4-benzenedicarbonitrile 
• 1825-62-3 ethyl trimethylsilyl ether 
• 107-46-0 Hexamethyldisiloxane 
• 920-68-3 heptamethyldisilazane 
• 557-21-1 dicyanozinc 
• 452-86-8 4-methyl-1,2-dihydroxybenzene 
• 26830-95-5 4-methyl-2-nitrobenzonitrile 
• 64113-86-6 2-nitro-5-methylbenzonitrile 
• 620-22-4 3-Methylbenzonitrile 

Downstream Products

• 313228-48-7 4-formyl-1,2-dicyanobenzene 
• 210037-82-4 4-hydroxymethyl-1,2-dicyanobenzene 
• 40314-06-5 5-methyl-1H-isoindole-1,3-(2H)-dione 
• 1015228-02-0 5-methyl-3-iminoisoindolin-1-one 
• 127511-07-3 6-methyl-3-iminoisoindolin-1-one 
• 1190-79-0 3-aza-2-pentene 
• 89927-55-9 3,4-dicyano-1-chloromethyl-benzene 
• 4316-23-8 4-methylphthalic acid 

Relevant articles and documents

An easy route from catechols to phthalonitriles

An easy synthetic route from substituted catechols via their corresponding aryl bistriflates to substituted phthalonitriles is described. The displacement of the triflate groups in catechol triflates by cyanide ions proceeded in high yields using zinc cyanide and palladium-1,1′-bis(diphenylphosphino)ferrocene as catalyst. The mild reaction conditions tolerate numerous functional groups and represent a desirable alternative to the generally low-yielding Rosenmund-von Braun reaction.