Oxo(phenyl)acetonitrile(CAS: 613-90-1)

CAS Number
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Basic Information
Molecular Formula
C8H5NO
Molecular Weight
131.13 g/mol
Physical Properties
Melting Point
28-31 °C (lit.)
Boiling Point
206 °C(lit.)
Density
1.106 g/mL at 25 °C(lit.)
Chemical Identifiers
SMILES
C1=CC=C(C=C1)C(=O)C#N
InChIKey
GJQBHOAJJGIPRH-UHFFFAOYSA-N
Database References
MDL Number
MFCD00001837
Beilstein Registry Number
1072101
FAQ
Oxo(phenyl)acetonitrile (CAS: 613-90-1) is a colorless to light yellow liquid with a molecular weight of approximately 138.16 g/mol. It has a boiling point of 117-118°C and a melting point of -37 to -36°C. It is slightly soluble in water but miscible with most organic solvents. It is an electrophilic reagent and can react with nucleophiles like amines and alcohols.
Oxo(phenyl)acetonitrile is typically synthesized by the reaction of phenylacetonitrile with an oxidizing agent like potassium permanganate or chromic acid. The process involves oxidation of the primary amine group to form the oxo group, yielding the desired product with high selectivity and good yield.
Oxo(phenyl)acetonitrile (CAS: 613-90-1) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It also finds applications in the polymer industry for the development of new materials and in the semiconductor industry for the production of certain chemical vapor deposition precursors.
When handling Oxo(phenyl)acetonitrile (CAS: 613-90-1), it is important to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. It should be stored in a well-ventilated area away from heat and ignition sources. In case of spill, it should be handled using appropriate spill kits and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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