2-(3-Benzoylphenyl)propionitrile Chemical Properties

Melting point:

47-53 °C(lit.)

Boiling point:

400.8±28.0 °C(Predicted)

Density 

1.115±0.06 g/cm3(Predicted)

vapor pressure 

10Pa at 20-50℃

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

color 

White to Almost white

Major Application

pharmaceutical (small molecule)
pharmaceutical

InChI

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

InChIKey

RGYOCHMZSLUCNP-UHFFFAOYSA-N

SMILES

C1(=CC=CC(C(C)C#N)=C1)C(=O)C1C=CC=CC=1

CAS DataBase Reference

42872-30-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

26-36

WGK Germany 

3

RTECS 

CY1693000

HS Code 

29269090

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:SigmaAldrich

2-(3-Benzoylphenyl)propionitrile Usage And Synthesis

Uses

2-(3-Benzoylphenyl)propionitrile was used as a substrate to study the enantioselectivity of nitrile hydratase from Rhodococcus equi A4.

2-(3-Benzoylphenyl)propionitrile(42872-30-0)Related Product Information

• Benzophenone
• 4-Benzoylbiphenyl
• Hydroxyethyl Cellulose
• Ethyl cellulose
• Ethyl maltol
• 4,4'-Dimethylbenzophenone
• 3-Methylbenzophenone
• 4-Methylbenzophenone
• 3-Benzoylphenylacetonitrile
• Hydroxyethyl starch
• 3-Aminopropionitrile
• 2-Methylbenzophenone
• 2-(3-CARBOXYPHENYL)PROPIONIC ACID
• rac Ketoprofen AMide
• rac-4'-Methyl Ketoprofen
• 3-ACETYLBENZOPHENONE
• 3-BENZOYLPHENYLACETIC ACID
• 3-(CYANOMETHYL)BENZOIC ACID