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3-Methoxy-4-nitrobenzonitrile(CAS: 177476-75-4)

3-Methoxy-4-nitrobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C8H6N2O3
Molecular Weight
178.14 g/mol
Physical State
Pale-yellow to Yellow-brown Solid

Physical Properties

Melting Point
125-126°

Chemical Identifiers

SMILES
COC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
InChIKey
LCBUSDDLYBHQFA-UHFFFAOYSA-N

Database References

MDL Number
MFCD11977368

FAQ

3-Methoxy-4-nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 217.14 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing electrophilic aromatic substitution reactivity. It exists as a crystalline solid at room temperature and has a melting point of around 125-126°C.
3-Methoxy-4-nitrobenzonitrile can be synthesized via the nitration of 3-methoxybenzonitrile followed by purification. The nitration step is typically carried out with nitric acid and sulfuric acid as the nitration agent. The product is then isolated and purified using recrystallization or column chromatography.
3-Methoxy-4-nitrobenzonitrile is used in various industries, including pharmaceuticals for the synthesis of certain compounds, and in the development of sensors and semiconductors. It can also be used in the preparation of dyes and pigments.
When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with caution, and proper safety data sheets (SDS) should be consulted for detailed procedures. Avoid contact with skin and eyes, and dispose of waste materials according to local regulations.

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

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Tang Silei

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