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: N#CC1=CC=C(C=C1)C

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
• Benzonitrile, 4-methyl-

p-Tolunitrile, 98+%

CAS: 104-85-8

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. …

• Formula: C₈H₇N
• Purity: 98+%
• Color and Shape: White to yellow, Crystalline mass or fused solid
• Molecular weight: 117.15

P-Tolunitrile

CAS: 104-85-8

• Purity: 98.0%
• Color and Shape: Solid, Low Melting Solid
• Molecular weight: 117.1510009765625

p-Tolunitrile

CAS: 104-85-8

• Formula: C₈H₇N
• Purity: ≥ 98.0%
• Color and Shape: Colourless to light yellow liquid
• Molecular weight: 117.15

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

4-Methylbenzonitrile

CAS: 104-85-8

• Color and Shape: Neat

4-Methylbenzonitrile

CAS: 104-85-8

• Formula: C₈H₇N
• Purity: 98%
• Color and Shape: white fused solid
• Molecular weight: 117.15g/mol

p-​Tolunitrile

CAS: 104-85-8

• Formula: C₈H₇N
• Color and Shape: Neat
• Molecular weight: 117.15

p-Tolunitrile

CAS: 104-85-8

p-Tolunitrile is a reactive chemical compound that belongs to the class of nitriles. It has …

• Formula: C₈H₇N
• Purity: Min. 98%
• Color and Shape: Powder
• Molecular weight: 117.15 g/mol

p-Tolunitrile, 98+%

CAS: 104-85-8

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. …

• Formula: C₈H₇N
• Purity: 98+%
• Color and Shape: Clear colorless to yellow, Liquid or solid
• Molecular weight: 117.15