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CAS 908562-25-4

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methyl 3-(bromomethyl)-4-cyano-benzoate

Description:
Methyl 3-(bromomethyl)-4-cyano-benzoate is an organic compound characterized by its functional groups and structural features. It belongs to the class of benzoate esters, which are derived from benzoic acid. The presence of a cyano group (-CN) and a bromomethyl group (-CH2Br) on the aromatic ring contributes to its reactivity and potential applications in organic synthesis. The methyl ester group (-COOCH3) enhances its solubility in organic solvents, making it useful in various chemical reactions. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its molecular structure allows for potential applications in pharmaceuticals, agrochemicals, and as an intermediate in the synthesis of more complex organic molecules. Additionally, the bromine atom can serve as a leaving group in nucleophilic substitution reactions, while the cyano group can participate in various chemical transformations, including nucleophilic additions and cycloadditions. Safety precautions should be observed when handling this compound due to the presence of bromine and its potential reactivity.
Formula:C10H8BrNO2
InChI:InChI=1/C10H8BrNO2/c1-14-10(13)7-2-3-8(6-12)9(4-7)5-11/h2-4H,5H2,1H3
SMILES:COC(=O)c1ccc(C#N)c(c1)CBr
Synonyms:
  • 3-Bromomethyl-4-cyanobenzoic acid methyl ester
  • Benzoic Acid, 3-(Bromomethyl)-4-Cyano-, Methyl Ester
  • Methyl 3-(bromomethyl)-4-cyanobenzoate
  • 3-(Bromomethyl)-4-cyanobenzoicacidmethylester
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