Benzoylacetonitrile TCI B0098

Chemical Identity

CAS No.: 614-16-4
PubChem: CID 64799·SID 87563297
Formula: C9H7NO
Molecular weight: 145.16 g/mol
Purity: >98.0%(GC)
Reference databases: ChEBI·ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 3-oxo-3-phenylpropanenitrile
SMILES: C1=CC=C(C=C1)C(=O)CC#N
InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N

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Benzoylacetonitrile is a chemical compound widely used in organic laboratory reactions. As a key building block in chemical synthesis, it serves as a versatile reagent for the creation of complex molecules. Its unique molecular structure, combining a nitrile group with a benzoil group, makes it highly reactive in various chemical processes. This reactivity is particularly valuable in synthetic pathways that require functional group transformations or the formation of aromatic and heterocyclic compounds.

The compound’s chemical properties make it a preferred choice for laboratory applications. It exhibits polarity and has a high boiling point, which allows it to be used in reactions requiring elevated temperatures or polar solvents. Its stability under controlled conditions ensures consistent performance, while its reactivity enables it to participate in nucleophilic and electrophilic reactions. These characteristics make it a reliable and efficient reagent in organic chemistry.

In Indonesian laboratories, Benzoylacetonitrile is commonly used in organic chemistry research and development. It is a staple in academic and industrial settings where synthetic chemistry is practiced. Its role in the synthesis of aromatic and heterocyclic compounds is well recognized, making it an essential component in the chemical toolkit of Indonesian researchers.

Related TCI products

Organic synthesis is a primary application where Benzoylacetonitrile is used to create complex molecules through various reaction mechanisms.
Heterocyclic compound formation benefits from its reactivity, allowing for the construction of ring structures in synthetic pathways.
Nucleophilic reaction studies utilize its functional groups to explore reaction mechanisms and reactivity patterns.
Electrophilic substitution reactions take advantage of its molecular structure to facilitate aromatic ring modifications.
Aromatic compound synthesis relies on its ability to participate in multiple reaction types, enhancing synthetic versatility.

Brand	TCI
CAS number	614-16-4
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	Available in various quantities as per standard laboratory supply
Physical form	Liquid
Storage	Store in a cool, dry, and well-ventilated area away from direct sunlight

Benzoylacetonitrile should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and sources of heat. It is recommended to use sealed containers made of materials compatible with its chemical properties, such as glass or high-density polyethylene. Due to its polarity and high boiling point, it is important to handle it in a fume hood when necessary to avoid exposure to vapors. Always ensure proper ventilation and use personal protective equipment when handling this compound. Storage should be in a secure location to prevent accidental spills or contamination. Regular checks of storage conditions are advised to maintain the integrity of the compound.

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