Benzoylacetonitrile

Synonym(s):β-Oxohydrocinnamonitrile

CAS NO.：614-16-4
Empirical Formula: C9H7NO
Molecular Weight: 145.16
MDL number: MFCD00001942
EINECS: 210-369-1
SAFETY DATA SHEET (SDS)
Update Date: 2025-09-25 17:15:13

What is Benzoylacetonitrile?

Chemical properties

LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER

The Uses of Benzoylacetonitrile

Benzoylacetonitrile can be used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics

The Uses of Benzoylacetonitrile

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.

Definition

ChEBI: Benzoylacetonitrile is a beta-ketonitrile and an aromatic ketone. It is functionally related to a benzoic acid.

Synthesis Reference(s)

The Journal of Organic Chemistry, 54, p. 4229, 1989 DOI: 10.1021/jo00278a047
Synthesis, p. 308, 1983
Tetrahedron, 49, p. 5091, 1993 DOI: 10.1016/S0040-4020(01)81874-3

Properties of Benzoylacetonitrile

Melting point:	82-83 °C (lit.)
Boiling point:	160 °C/10 mmHg (lit.)
Density	1.1555 (rough estimate)
refractive index	1.4500 (estimate)
Flash point:	159-160°C/10mm
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form	Solid
pka	7.78±0.10(Predicted)
color	Yellow to Dark Beige
Water Solubility	slightly soluble
BRN	386745
Exposure limits	NIOSH: IDLH 25 mg/m3
CAS DataBase Reference	614-16-4(CAS DataBase Reference)
NIST Chemistry Reference	«alpha»-Cyanoacetophenone(614-16-4)
EPA Substance Registry System	Benzenepropanenitrile, .beta.-oxo- (614-16-4)

Safety information for Benzoylacetonitrile

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.