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  8. Benzoylacetonitrile, 98+%

Benzoylacetonitrile, 98+%

Catalog No. AAA1447322
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Catalog No. AAA1447322 Supplier Thermo Scientific Chemicals Supplier No. A1447322
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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.
TRUSTED_SUSTAINABILITY

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

Specifications

Melting Point 79°C to 83°C
Boiling Point 159°C to 160°C (10 mmHg)
Quantity 100 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

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