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CAS 5597-04-6

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Cyanomethylbezoicacidmethylester

Description:
Cyanomethylbenzoic acid methyl ester, with the CAS number 5597-04-6, is an organic compound characterized by its functional groups, which include a cyano group (-CN), a methyl ester (-COOCH3), and a benzoic acid moiety. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the cyano group imparts notable reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. Additionally, the methyl ester functionality allows for further chemical modifications, enhancing its versatility in organic synthesis. Safety data indicates that, like many cyanide-containing compounds, it should be handled with care due to potential toxicity. Overall, cyanomethylbenzoic acid methyl ester is a valuable compound in synthetic organic chemistry, with applications that leverage its unique chemical properties.
Formula:C10H9NO2
InChI:InChI=1/C10H9NO2/c1-13-10(12)9-5-3-2-4-8(9)6-7-11/h2-5H,6H2,1H3
SMILES:COC(=O)c1ccccc1CC#N
Synonyms:
  • 2-Cyanomethylbenzoic acid methyl ester
  • Methyl 2-(Cyanomethyl)Benzoate
  • 2-CYANOMETHYLBENZOIC ACID METHYL ESTER 98+%
  • cyanomethylbezoicacidmethylester
  • Benzoic acid, 2-(cyanomethyl)-, methyl ester
  • METHYL 2-CYANOMETHYLBENZOATE
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