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CAS 439117-38-1

:

methyl 5-chloro-2-cyanobenzoate

Description:
Methyl 5-chloro-2-cyanobenzoate, with the CAS number 439117-38-1, is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with a chlorine atom and a cyano group. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its moderate polarity due to the presence of both the ester and cyano functional groups. The chlorine atom introduces electronegativity, influencing the compound's reactivity and potential applications in organic synthesis. Methyl 5-chloro-2-cyanobenzoate can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it valuable in the synthesis of pharmaceuticals and agrochemicals. Its stability under standard conditions allows for ease of handling, although care should be taken due to the potential toxicity associated with the cyano group. Overall, this compound serves as an important intermediate in the field of organic chemistry, particularly in the development of more complex molecular architectures.
Formula:C9H6ClNO2
InChI:InChI=1/C9H6ClNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3
SMILES:COC(=O)c1cc(ccc1C#N)Cl
Synonyms:
  • Benzoic Acid, 5-Chloro-2-Cyano-, Methyl Ester
  • Methyl 5-chloro-2-cyanobenzoatato
  • Methyl5-chloro-2-cyanobenzoate
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