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CAS 68432-92-8

:

methyl 3-(cyanomethyl)benzoate

Description:
Methyl 3-(cyanomethyl)benzoate, with the CAS number 68432-92-8, is an organic compound characterized by its ester functional group and a cyano group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It has a distinctive aromatic odor, which is common among benzoate esters. The presence of the cyano group (-CN) contributes to its reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. Methyl 3-(cyanomethyl)benzoate is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. Its chemical properties include the ability to undergo nucleophilic substitution and addition reactions, which are typical for compounds containing both ester and nitrile functionalities. Safety data should be consulted for handling, as compounds with cyano groups can be toxic and require appropriate precautions during use.
Formula:C10H9NO2
InChI:InChI=1/C10H9NO2/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3
SMILES:COC(=O)c1cccc(CC#N)c1
Synonyms:
  • Benzoic Acid, 3-(Cyanomethyl)-, Methyl Ester
  • 3-Cyanomethylbenzoic Acid Methyl Ester
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