Chemical Property of Benzoylacetonitrile
Chemical Property:
- Appearance/Colour:Light yellow to yellow-brown crystalline powder
- Vapor Pressure:0.00105mmHg at 25°C
- Melting Point:78-82 °C
- Refractive Index:1.536
- Boiling Point:301.5 °C at 760 mmHg
- PKA:7.78±0.10(Predicted)
- Flash Point:132.9 °C
- PSA：40.86000
- Density:1.109 g/cm3
- LogP:1.78298
- Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
- Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Water Solubility.:slightly soluble
- XLogP3:1
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:2
- Exact Mass:145.052763847
- Heavy Atom Count:11
- Complexity:183
- Purity/Quality:
-
99% *data from raw suppliers
Benzoylacetonitrile *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn,Xi
- Statements:
20/21/22-36/37/38
- Safety Statements:
26-36-36/37/39-22
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC=C(C=C1)C(=O)CC#N
-
Uses
Benzoylacetonitrile can be used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics 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.
