2-(4-Nitrophenyl)propanenitrile(CAS: 50712-63-5)

CAS Number
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Basic Information
Molecular Formula
C9H8N2O2
Molecular Weight
176.17 g/mol
Physical Properties
Melting Point
74-78 °C (lit.)
Boiling Point
324.1°C at 760 mmHg
Density
1.217
Flash Point
149.8°C
Chemical Identifiers
SMILES
CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
InChIKey
QCPKTMACPAKCKW-UHFFFAOYSA-N
Database References
MDL Number
MFCD03427171
FAQ
2-(4-Nitrophenyl)propanenitrile (CAS: 50712-63-5) is a colorless to white crystalline solid with a molecular weight of approximately 217.14 g/mol. It has a melting point of 69-71°C and is slightly soluble in water. This compound is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It exhibits good solubility in organic solvents like ethanol and acetone.
2-(4-Nitrophenyl)propanenitrile (CAS: 50712-63-5) is commonly synthesized through the reaction of 2-chloropropanenitrile with 4-nitrophenoxyboronic acid in the presence of a catalytic amount of tetrakis(triphenylphosphine)palladium(0). This method provides high yield and selectivity. Other routes involve the nitration of 2-phenylpropanenitrile followed by hydrogenation.
2-(4-Nitrophenyl)propanenitrile (CAS: 50712-63-5) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the production of polymers, where its functional groups can be used for crosslinking or grafting. Additionally, it can be employed in the development of sensors and semiconductors due to its specific chemical properties.
When handling 2-(4-Nitrophenyl)propanenitrile (CAS: 50712-63-5), it is important to use appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be contained and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal 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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