CAS 39101-54-7

3,5-Dimethylbenzeneacetonitrile

Description:

3,5-Dimethylbenzeneacetonitrile, also known by its CAS number 39101-54-7, is an organic compound characterized by its structure, which features a benzene ring substituted with two methyl groups at the 3 and 5 positions, along with an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its aromatic properties, which contribute to its stability and potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the acetonitrile group imparts polar characteristics, making it soluble in polar solvents while being less soluble in non-polar solvents. Additionally, 3,5-Dimethylbenzeneacetonitrile may exhibit moderate toxicity, necessitating appropriate safety measures during handling and use. Its chemical behavior can be influenced by the presence of the methyl groups, which can affect reactivity and interaction with other chemical species.

Formula: C₁₀H₁₁N

InChI: InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3

InChI key: InChIKey=LMUKNQSVBFEUKR-UHFFFAOYSA-N

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

Synonyms:

• (3,5-Dimethylphenyl)acetonitrile
• 1-Cyanomethyl-3,5-dimethylbenzene
• 2-(3,5-Dimethylphenyl)acetonitrile
• 3,5-Dimethylbenzeneacetonitrile
• 3,5-Dimethylbenzyl cyanide
• Acetonitrile, (3,5-xylyl)-
• Benzeneacetonitrile, 3,5-dimethyl-

3,5-Dimethylphenylacetonitrile, 98%

CAS: 39101-54-7

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₀H₁₁N

Purity: 98%

Color and Shape: Colorless to white to cream to pale yellow or pale brown, Crystals or powder or crystalline powder or lumps or fused solid or liquid as melt

Molecular weight: 145.21

Ref: 02-L10170

3,5-Dimethylphenylacetonitrile

CAS: 39101-54-7

Formula: C₁₀H₁₁N

Purity: 95%

Color and Shape: Solid

Molecular weight: 145.2010

Ref: IN-DA003IP5

3,5-Dimethylbenzylcyanide

CAS: 39101-54-7

3,5-Dimethylbenzylcyanide

Purity: 98%

Molecular weight: 145.20g/mol

Ref: 54-OR1010817

3,5-Dimethylphenylacetonitrile

CAS: 39101-54-7

Formula: C₁₀H₁₁N

Purity: ≥98%

Color and Shape: Solid

Molecular weight: 145.205

Ref: 10-F018636

3,5-Dimethylbenzyl Cyanide

Controlled Product

CAS: 39101-54-7

Applications 3,5-Dimethylbenzyl Cyanide (cas# 39101-54-7) is a compound useful in organic synthesis.

Formula: C₁₀H₁₁N

Color and Shape: Neat

Molecular weight: 145.2

Ref: TR-D464880

3,5-Dimethylphenylacetonitrile

CAS: 39101-54-7

Formula: C₁₀H₁₁N

Molecular weight: 145.2

Ref: ST-EA-CP-A60018

3,5-Dimethylbenzyl cyanide

CAS: 39101-54-7

3,5-Dimethylbenzyl cyanide is a biomolecule that is used in the synthesis of pharmaceuticals. It has been studied for its potential use in cancer prevention and treatment. 3,5-Dimethylbenzyl cyanide is an industrial molecule that can be synthesized from benzaldehyde and dimethyl sulfate. This compound has been postulated to bind to the aromatase enzyme, which converts testosterone into estrogen. The chloride ion is thought to be the pharmacophore because it was found to be essential for binding to the enzyme. Molecular modelling has been used to determine how this molecule binds to the active site of aromatase, which may lead to new treatments for breast cancer.

Formula: C₁₀H₁₁N

Purity: Min. 95%

Molecular weight: 145.2 g/mol

Ref: 3D-FD22361