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methyl 3-(cyanomethyl)benzoate(CAS: 68432-92-8)

methyl 3-(cyanomethyl)benzoate
CAS Number

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Basic Information

Molecular Formula
C10H9NO2
Molecular Weight
175.18 g/mol

Physical Properties

Boiling Point
314.1°C at 760 mmHg
Density
1.141±0.06 g/cm3 (20 ºC 760 Torr),

Chemical Identifiers

SMILES
COC(=O)C1=CC=CC(=C1)CC#N
InChIKey
XSNUGLQVCGENEM-UHFFFAOYSA-N

Database References

MDL Number
MFCD07783720

FAQ

Methyl 3-(cyanomethyl)benzoate (CAS: 68432-92-8) is a crystalline compound with a molecular weight of approximately 182.14 g/mol. It is sparingly soluble in water but highly soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive due to the presence of the cyano group and the ester functionality, making it susceptible to hydrolysis and nucleophilic substitution reactions.
Methyl 3-(cyanomethyl)benzoate is typically synthesized via the reaction of benzoic acid with methyl cyanoacetate. This process involves the condensation of the carboxylic acid group of benzoic acid with the cyanoacetate group, followed by esterification. Commonly, a catalytic amount of a Lewis acid like aluminum chloride is used to improve the reaction selectivity and yield.
Methyl 3-(cyanomethyl)benzoate (CAS: 68432-92-8) is used in several industries, including pharmaceuticals for the synthesis of certain drugs, polymers for enhancing properties like solvent resistance, and sensors for its reactivity. It is also applied in the semiconductor industry due to its use as a precursor in chemical vapor deposition processes.
When handling methyl 3-(cyanomethyl)benzoate (CAS: 68432-92-8), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work with the compound in a fume hood to minimize exposure. Spills should be handled by neutralizing any acidic or basic components and then cleaning up with appropriate solvents. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency 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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