CAS 53882-81-8

3-Methyl-β-oxobenzenepropanenitrile

Description:

3-Methyl-β-oxobenzenepropanenitrile, also known by its CAS number 53882-81-8, is an organic compound characterized by its structure, which includes a benzene ring substituted with a methyl group and a propanenitrile functional group. This compound features a β-oxo group, indicating the presence of a carbonyl (C=O) adjacent to the nitrile (C≡N) group. The presence of these functional groups suggests that it may exhibit reactivity typical of both ketones and nitriles, potentially participating in nucleophilic addition reactions. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. Its solubility in organic solvents and limited solubility in water is typical for such compounds. 3-Methyl-β-oxobenzenepropanenitrile may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential as an intermediate in various chemical reactions. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₀H₉NO

InChI: InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3

InChI key: InChIKey=IVLKDYOTZMFMLO-UHFFFAOYSA-N

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

Synonyms:

• (3-Methylbenzoyl)acetonitrile
• 3-(3-Methylphenyl)-3-oxopropanenitrile
• 3-Methyl-β-oxobenzenepropanenitrile
• 3-Oxo-3-(3-methylphenyl)propanenitrile
• 3-Oxo-3-m-tolylpropanenitrile
• 3-Oxo-3-m-tolylpropionitrile
• 3-Toluoylacetonitrile
• Benzenepropanenitrile, 3-methyl-β-oxo-
• m-Toluoylacetonitrile
• α-Cyano-3-methylacetophenone

m-Toluoylacetonitrile, 97%

CAS: 53882-81-8

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: C₁₀H₉NO

Purity: 97%

Color and Shape: White to pale cream to pale brown or pale yellow to pale orange, Crystals or powder or crystalline powder

Molecular weight: 159.19

Ref: 02-A11965

3-Oxo-3-(m-tolyl)propanenitrile

CAS: 53882-81-8

Formula: C₁₀H₉NO

Purity: 95%

Color and Shape: Solid

Molecular weight: 159.1846

Ref: IN-DA003JQR

3-Methylbenzoylacetonitrile

CAS: 53882-81-8

3-Methylbenzoylacetonitrile

Purity: 98%

Molecular weight: 159.18g/mol

Ref: 54-OR4083

3-Methylbenzoylacetonitrile

CAS: 53882-81-8

Formula: C₁₀H₉NO

Purity: 95%

Molecular weight: 159.188

Ref: 10-F206974