Benzoylacetonitrile, 98+%

Description

CAS: 614-16-4 | C9H7NO | 145.16 g/mol

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 synthesis, e.g. polyfunctional pyridines and pyrimidines.

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 Scientific Chemicals.

Applications
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 synthesis, e.g. polyfunctional pyridines and pyrimidines.

Solubility
Slightly soluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

Specifications

Chemical Identifiers

• CAS: 614-16-4
• Molecular Formula: C9H7NO
• Molecular Weight (g/mol): 145.16
• MDL Number: MFCD00001942
• InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N
• Synonym: benzoylacetonitrile, 2-cyanoacetophenone, phenacyl cyanide, 3-oxo-3-phenyl-propionitrile, cyanomethyl phenyl ketone, acetonitrile, benzoyl, cyanoacetophenone, 3-phenyl-3-ketopropionitrile, benzenepropanenitrile, beta-oxo, benzoyl acetonitrile
• PubChem CID: 64799
• ChEBI: CHEBI:51855
• IUPAC Name: 3-oxo-3-phenylpropanenitrile
• SMILES: O=C(CC#N)C1=CC=CC=C1

• Melting Point: 79°C to 83°C
• Boiling Point: 159°C to 160°C (10 mmHg)
• Quantity: 5 g
• Beilstein: 386745
• Solubility Information: Slightly soluble in water.
• Formula Weight: 145.16
• Percent Purity: ≥98%
• Chemical Name or Material: Benzoylacetonitrile

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H301-H315-H319-H335 Toxic if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
EINECSNumber	210-369-1
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only