Benzoylacetonitrile Chemical Properties

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

InChIKey

ZJRCIQAMTAINCB-UHFFFAOYSA-N

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

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36-36/37/39-22

RIDADR 

3276

WGK Germany 

3

Hazard Note 

Harmful/Irritant

TSCA 

Yes

HazardClass 

IRRITANT

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:Cyanoacetophenone
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Benzoylacetonitrile Usage And Synthesis

Chemical Properties

LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER

Uses

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.

Uses

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

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

Benzoylacetonitrile(614-16-4)Related Product Information

• Dibenzoylmethane
• Benzoyl peroxide
• Dibenzoyltartaric acid
• (3-Methoxyphenyl)acetonitrile
• PHENOXYACETIC ACID
• P-AMINOBENZAMIDE GLUTAMIC ACID
• 4-METHYLBENZOYLACETONITRILE
• 3,4-DICHLOROBENZOYLACETONITRILE
• METHYL 4-(CYANOACETYL)BENZOATE
• 3-CHLOROBENZOYLACETONITRILE
• 4-CHLOROBENZOYLACETONITRILE
• 4-Methoxybenzoylacetonitrile
• 3-Methylbenzoylacetonitrile
• 3-CYANOCHROMONE
• 3-(Trifluoromethyl)benzoylacetonitrile 97%,3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE,3-(Trifluoromethyl)benzoylacetonitrile97%
• 4-(Trifluoromethoxy)benzoylacetonitrile 97%,4-(Trifluoromethoxy)benzoylacetonitrile97%
• 4-Bromobenzoylacetonitrile
• 2-CHLOROBENZOYLACETONITRILE