3-ACETYLBENZONITRILE Chemical Properties

Melting point:

98-100 °C (lit.)

Boiling point:

120 °C (5 mmHg)

Density 

1.1555 (rough estimate)

refractive index 

1.4500 (estimate)

Flash point:

120°C/5mm

storage temp. 

Sealed in dry,Room Temperature

solubility 

4g/l

form 

Powder

color 

Pale yellow-orange to brown

Water Solubility 

Insoluble in water.

BRN 

2079629

CAS DataBase Reference

6136-68-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-37/39

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Harmful/Irritant

TSCA 

T

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

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

3-ACETYLBENZONITRILE Usage And Synthesis

Uses

3-Acetylbenzonitrile has been used in the preparation of 3-(hydroxyacetyl)benzonitrile, and 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile.

Chemical Properties

Pale yellowish-orange to brown powder

Uses

Preparation of (q2-2-Acetyl-4-cyanophenyl)tetra- carbonylmanganese by Reaction of 3-Acetylbenzonitrile with Benzylpentacarbonylmanganese. Four aromatic amidoximes were synthesized by reacting hydroxylamine with 1,3 -dicyanobenzene, 1,4- dicyanobenzene, 3-acetylbenzonitrile, and 4-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.

Uses

3-Acetylbenzonitrile has been used in the preparation of:

• 3-(hydroxyacetyl)benzonitrile
• 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile

Definition

ChEBI: 3-Acetylbenzonitrile is an aromatic ketone.

Synthesis Reference(s)

Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X

3-ACETYLBENZONITRILE(6136-68-1)Related Product Information

• 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE
• 3-(2-Bromoacetyl)benzonitrile
• 6-Cyano-1-indanone
• 2,3-dihydro-1-oxo-1H-indene-4-carbonitrile
• 3-ACETYLBENZONITRILE
• 4-Acetylbenzonitrile
• 2-ACETYLBENZONITRILE
• 4-ACETYLBENZONITRILE,P-ACETYLBENZONITRILE
• Benzonitrile
• Acetophenone
• 3'-CYANO-2-PHENYLACETOPHENONE
• 3-CYANO-4'-METHOXYBENZOPHENONE
• 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE
• 2-(2-BROMOPHENYL)-3'-CYANOACETOPHENONE
• 3-CYANO-3'-IODOBENZOPHENONE
• 3-CYANO-4'-IODOBENZOPHENONE
• 7-(3-CYANOPHENYL)-7-OXOHEPTANENITRILE
• 4-(3-CYANOPHENYL)-4-OXOBUTYRONITRILE