CAS 614-16-4

Benzoylacetonitrile

Description:

Benzoylacetonitrile, with the CAS number 614-16-4, is an organic compound characterized by its structure, which features a benzoyl group and a cyano group attached to an acetonitrile backbone. It typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. This compound is known for its moderate polarity and can act as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Benzoylacetonitrile exhibits reactivity due to the presence of both the carbonyl and nitrile functional groups, allowing it to participate in various chemical reactions, such as nucleophilic additions and condensation reactions. It is also soluble in organic solvents like ethanol and acetone, but less so in water. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested. Overall, benzoylacetonitrile is a valuable compound in synthetic organic chemistry due to its functional versatility.

Formula: C₉H₇NO

InChI: InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2

InChI key: InChIKey=ZJRCIQAMTAINCB-UHFFFAOYSA-N

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

Synonyms:

• 2-Cyanoacetophenone
• 3-Oxo-3-Phenylpropanenitrile
• 3-Oxo-3-phenylpropionitrile
• 3-Phenyl-3-ketopropionitrile
• 3-Phenyl-3-oxopropanenitrile
• Acetonitrile, benzoyl-
• Benzenepropanenitrile, β-oxo-
• Benzoylcyanomethane
• Cyanomethyl phenyl ketone
• NSC 4713
• Phenacyl cyanide
• α-Cyanoacetophenone
• β-Oxobenzenepropanenitrile
• β-Oxobenzenepropionitrile
• ω-Cyanoacetophenone

Benzoylacetonitrile

CAS: 614-16-4

Formula: C₉H₇NO

Purity: >98.0%(GC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 145.16

Ref: 3B-B0098

Benzoylacetonitrile, 98+%

CAS: 614-16-4

Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic s

Formula: C₉H₇NO

Purity: 98+%

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

Molecular weight: 145.16

Ref: 02-A14473

Benzenepropanenitrile, b-oxo-

CAS: 614-16-4

Formula: C₉H₇NO

Purity: 97%

Color and Shape: Solid

Molecular weight: 145.1580

Ref: IN-DA00IAUV

Benzoylacetonitrile

CAS: 614-16-4

Formula: C₉H₇NO

Molecular weight: 145.16

Ref: 7W-GK8150

Benzoylacetonitrile

CAS: 614-16-4

Benzoylacetonitrile

Formula: C₉H₇NO

Purity: 93%

Color and Shape: light yellow/orange. tiny cystalline flakes

Molecular weight: 145.16g/mol

Ref: 54-OR5834

Benzoylacetonitrile

CAS: 614-16-4

Formula: C₉H₇NO

Purity: 97%

Color and Shape: Solid

Molecular weight: 145.161

Ref: 10-F013117

Benzoylacetonitrile

Controlled Product

CAS: 614-16-4

Applications Used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.
References Herschhorn, A., et al.: J. Med. Chem., 50, 3402 (2007),

Formula: C₉H₇NO

Color and Shape: Neat

Molecular weight: 145.16

Ref: TR-B207920