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p-Tolunitrile

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p-Tolunitrile Basic information
p-Tolunitrile Chemical Properties
  • Melting point:26-28 °C(lit.)
  • Boiling point:103-106 °C20 mm Hg(lit.)
  • Density 0.981 g/mL at 25 °C(lit.)
  • refractive index 1.5285-1.5305
  • Flash point:185 °F
  • storage temp. Store below +30°C.
  • solubility alcohol: very soluble
  • form Viscous Liquid
  • color Clear
  • Specific Gravity0.981
  • Water Solubility <0.1 g/100 mL at 17 ºC
  • Merck 14,9538
  • BRN 507386
  • Stability:Stable. Incompatible with strong oxidizing agents, strong bases.
  • InChIKeyVCZNNAKNUVJVGX-UHFFFAOYSA-N
  • CAS DataBase Reference104-85-8(CAS DataBase Reference)
  • NIST Chemistry ReferenceBenzonitrile, 4-methyl-(104-85-8)
  • EPA Substance Registry Systemp-Tolunitrile (104-85-8)
Safety Information
  • Hazard Codes Xi
  • Risk Statements 36/37/38-43-36/38
  • Safety Statements 26-36/37-37-36
  • WGK Germany 2
  • RTECS XV0700000
  • Hazard Note Irritant
  • TSCA Yes
  • HS Code 29269095
MSDS
p-Tolunitrile Usage And Synthesis
  • Chemical Propertiesbeige solid
  • Synthesis Reference(s)Synthetic Communications, 15, p. 1299, 1985 DOI: 10.1080/00397918508077278
    Tetrahedron Letters, 27, p. 1925, 1986 DOI: 10.1016/S0040-4039(00)84413-5
  • General DescriptionBeige solid at 62.6° F.
  • Air & Water ReactionsInsoluble in water.
  • Reactivity ProfileNitriles, such as p-Tolunitrile, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
  • Fire Hazardp-Tolunitrile is combustible.
  • Purification MethodsMelt the nitrile, dry it with MgSO4, fractionally crystallise it from its melt, then fractionally distil it under reduced pressure in a 6-in spinning band column. [Brown J Am Chem Soc 81 3232 1959.] It can also be crystallised from *benzene/pet ether (b 40-60o). [Beilstein 9 H 489, 9 I 194, 9 II 330, 9 III 2348, 9 IV 1738.]
p-Tolunitrile Preparation Products And Raw materials
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