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3-Iodobenzonitrile(CAS: 69113-59-3)

3-Iodobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C7H4IN
Molecular Weight
17.03 g/mol

Physical Properties

Melting Point
38.0 and le 42.0 deg-C
Boiling Point
260.1℃ at 760 mmHg
Density
1.9100

Chemical Identifiers

SMILES
C1=CC(=CC(=C1)I)C#N
InChIKey
QGZKDVFQNNGYKY-UHFFFAOYSA-N

Database References

MDL Number
MFCD00079762

FAQ

3-Iodobenzonitrile (CAS: 69113-59-3) is a white crystalline solid with a molecular weight of approximately 224.01 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and undergoes substitution reactions easily.
3-Iodobenzonitrile is typically synthesized through the iodination of benzonitrile using iodine in the presence of a Lewis acid catalyst such as aluminum chloride or ferric chloride. The yield of the reaction is around 70-80%, and the process involves heating the reactants to a temperature of about 80°C to achieve high selectivity and yield.
3-Iodobenzonitrile (CAS: 69113-59-3) is utilized in industries such as pharmaceuticals, where it serves as a building block for drug synthesis, and in the production of polymers for its unique chemical properties. It also finds applications in the development of sensors and semiconductors due to its reactivity and stability.
When handling 3-Iodobenzonitrile (CAS: 69113-59-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Spills should be cleaned up using an appropriate absorbent material, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed emergency and handling procedures.

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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