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4-Methyl-3-nitrobenzonitrile(CAS: 939-79-7)

4-Methyl-3-nitrobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C8H6N2O2
Molecular Weight
162.15 g/mol
Physical State
Pale-yellow to Yellow-brown Solid

Physical Properties

Melting Point
105.0 to 109.0 deg-C
Boiling Point
171°C/12mmHg(lit.)
Density
1.2600
Flash Point
171°C/12mm

Chemical Identifiers

SMILES
CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
InChIKey
KOFBNBCOGKLUOM-UHFFFAOYSA-N

Database References

MDL Number
MFCD00031482
Beilstein Registry Number
2047311

FAQ

4-Methyl-3-nitrobenzonitrile is a white or light yellow crystalline solid with a molecular weight of approximately 194.14 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo nitration and reduction reactions. It has a melting point of around 65-66°C and a boiling point of approximately 260-268°C.
4-Methyl-3-nitrobenzonitrile can be synthesized through the nitrilation of 4-methyl-3-nitrobenzoic acid or its derivatives. Common methods include the use of nitric acid in the presence of concentrated sulfuric acid as a catalyst, followed by hydrolysis of the imide intermediate. The reaction is typically carried out at elevated temperatures, and the yield can range from 70-85% depending on the reaction conditions.
4-Methyl-3-nitrobenzonitrile finds applications in various industries. It is used in the synthesis of dyes and pigments, as an intermediate in the production of pharmaceuticals, and in the development of sensors and electronic materials. Additionally, it is utilized in the manufacturing of certain polymers and as a reagent in analytical chemistry.
When handling 4-Methyl-3-nitrobenzonitrile, it is essential to follow safety guidelines. It should be stored in a cool, dry place away from sources of ignition and incompatible materials. Use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. In case of spill, immediately clean up using appropriate absorbent materials and dispose of according to local regulations. Always consult the Material Safety Data Sheet (MSDS/SDS) for specific safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Email

beilstein.chem@yahoo.com.cn