CAS 4468-48-8

α-Acetylbenzeneacetonitrile

Description:

α-Acetylbenzeneacetonitrile, also known by its CAS number 4468-48-8, is an organic compound characterized by the presence of both an acetyl group and a nitrile functional group attached to a benzene ring. 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 due to the benzene ring, which contributes to its stability and reactivity. The presence of the acetyl group provides sites for potential electrophilic substitution reactions, while the nitrile group can participate in nucleophilic addition reactions. α-Acetylbenzeneacetonitrile is often utilized in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Its solubility in organic solvents makes it a versatile reagent in chemical reactions. However, like many nitriles, it may pose health risks if inhaled or ingested, necessitating appropriate safety precautions during handling and use.

Formula: C₁₀H₉NO

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

InChI key: InChIKey=KHNWFTMUBKJWRZ-UHFFFAOYSA-N

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

Synonyms:

• (2R)-3-oxo-2-phenylbutanenitrile
• (2S)-3-oxo-2-phenylbutanenitrile
• 1-Cyano-1-phenylpropan-2-one
• 1-Phenyl-1-cyanopropan-2-one
• 2-Acetyl-2-phenylacetonitrile
• 2-Oxo-1-Phenylpropyl Cyanide
• 2-Phenylacetoacetonitrile
• 3-Oxo-2-Phenylbutanenitrile
• 3-Oxo-2-phenyl-butyronitrile
• Acetoacetonitrile, 2-phenyl-
• Acetylphenylacetonitrile
• Alfa-fenilacetoacetonitrilo (APAAN)
• Benzeneacetonitrile, α-acetyl-
• NSC 11777
• NSC 25183
• NSC 55206
• α-Acetyl Benzeneacetonitride
• α-Acetyl Benzeneacetonitrile
• α-Acetylbenzeneacetonitrile
• α-Acetylphenylacetonitrile

α-Phenylacetoacetonitrile

Controlled Product

CAS: 4468-48-8

Color and Shape: Neat

Ref: LP-APA-1611-10

α-Phenylacetoacetonitrile, 1mg/ml in Methanol

Controlled Product

CAS: 4468-48-8

Color and Shape: Single Solution

Ref: LP-APA-1611-1LM

a-Acetylphenylacetonitrile

Controlled Product

CAS: 4468-48-8

a-Acetylphenylacetonitrile is a bifunctional molecule that can be used in the synthesis of new compounds, such as pharmaceuticals, dyes, and perfumes. It is an analytical technique for measuring the concentrations of cyanides in wastewater. The fluorescence properties of this compound are helpful in detecting the presence of phenylacetone by using a kinetic assay. This compound can also be used to synthesize other organic compounds with high enantiopurity.

Formula: C₁₀H₉NO

Purity: Min. 95%

Molecular weight: 159.18 g/mol

Ref: 3D-FA17161