CAS 104-85-8

4-Methylbenzonitrile

Description:

4-Methylbenzonitrile, also known as p-tolunitrile, is an aromatic compound characterized by a benzene ring substituted with a methyl group and a nitrile group at the para position. Its molecular formula is C8H9N, and it features a molecular weight that reflects its structure. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature, and has a distinctive aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. 4-Methylbenzonitrile is primarily used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It exhibits moderate toxicity and should be handled with care, as it can cause irritation to the skin, eyes, and respiratory system. Additionally, it is important to store this compound in a cool, dry place away from incompatible materials to ensure safety and stability.

Formula: C₈H₇N

InChI: InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3

InChI key: InChIKey=VCZNNAKNUVJVGX-UHFFFAOYSA-N

SMILES: C(#N)C1=CC=C(C)C=C1

Synonyms:

• 1-Cyano-4-methylbenzene
• 4-Cyanotoluene
• 4-Methylbenzonitrile
• 4-Methylcyanobenzene
• 4-Methylphenyl cyanide
• 4-Methylphenylnitrile
• 4-Toluenitrile
• 4-Tolyl cyanide
• Nsc 70985
• P-Tolunitril
• P-Toluonitrilo
• Tolunitrile, P-
• p-Cyanotoluene
• p-Methylbenzonitrile
• p-Toluenenitrile
• p-Tolunitrile
• p-Toluonitril
• p-Toluonitrile
• p-Tolyl cyanide
• p-Tolylnitrile
• 4-cyano-toluene
• 4-Methylbenzenecarbonitrile
• para-tolunitrile

p-Tolunitrile, 98+%

CAS: 104-85-8

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Formula: C₈H₇N

Purity: 98+%

Color and Shape: White to yellow, Crystalline mass or fused solid

Molecular weight: 117.15

Ref: 02-B23029

p-Tolunitrile

CAS: 104-85-8

Formula: C₈H₇N

Purity: ≥ 98.0%

Color and Shape: Colourless to light yellow liquid

Molecular weight: 117.15

Ref: 7W-GK7267

p-Tolunitrile

CAS: 104-85-8

Formula: C₈H₇N

Purity: 98.0%

Color and Shape: Solid, Low Melting Solid

Molecular weight: 117.151

Ref: 10-F035883

p-Tolunitrile

CAS: 104-85-8

Formula: C₈H₇N

Purity: >98.0%(GC)

Color and Shape: White or Colorless to Almost white or Almost colorless powder to lump to clear liquid

Molecular weight: 117.15

Ref: 3B-T0307

4-Methylbenzonitrile

CAS: 104-85-8

Color and Shape: White

Ref: 86-MM1143.17

4-Methylbenzonitrile

CAS: 104-85-8

4-Methylbenzonitrile

Formula: C₈H₇N

Purity: 98%

Color and Shape: white fused solid

Molecular weight: 117.15g/mol

Ref: 54-OR1709

p-​Tolunitrile

Controlled Product

CAS: 104-85-8

Formula: C₈H₇N

Color and Shape: White

Molecular weight: 117.15

Ref: TR-T536235

p-Tolunitrile

CAS: 104-85-8

p-Tolunitrile is a reactive chemical compound that belongs to the class of nitriles. It has been shown to react with amides and form an amide derivative by way of an SN1 reaction mechanism. p-Tolunitrile reacts with benzoate in solution to form a substituted benzoyl derivative, which may be observed as a frequency shift in the IR spectrum. p-Tolunitrile is also capable of forming a photoelectron when irradiated with light at nmr frequencies. The ph optimum for this compound is 10-11. The deuterium isotope effect has been measured using NMR spectroscopy and shows that p-tolunitrile binds to chlorine atoms through a transfer mechanism.

Formula: C₈H₇N

Purity: Min. 98%

Color and Shape: Powder

Molecular weight: 117.15 g/mol

Ref: 3D-FT37845