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CAS 21962-48-1

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3-Formyl-2-methoxybenzonitrile

Description:
3-Formyl-2-methoxybenzonitrile, with the CAS number 21962-48-1, is an organic compound characterized by its functional groups, which include an aldehyde (formyl) and a nitrile (cyano) group, along with a methoxy substituent on a benzene ring. This compound typically appears as a crystalline solid and is soluble in organic solvents. Its molecular structure features a benzene ring substituted at the 2-position with a methoxy group and at the 3-position with a formyl group, while the cyano group is attached to the benzene ring, contributing to its reactivity and potential applications in organic synthesis. The presence of both electron-withdrawing (nitrile) and electron-donating (methoxy) groups can influence its chemical behavior, making it a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals. Additionally, its reactivity can be exploited in condensation reactions and other transformations in organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C9H7NO2
InChI:InChI=1S/C9H7NO2/c1-12-9-7(5-10)3-2-4-8(9)6-11/h2-4,6H,1H3
InChI key:InChIKey=ZTLGJHMOOMMZDE-UHFFFAOYSA-N
SMILES:O(C)C1=C(C#N)C=CC=C1C=O
Synonyms:
  • Benzonitrile, 3-formyl-2-methoxy-
  • 3-Formyl-2-methoxybenzonitrile
  • o-Anisonitrile, 3-formyl-
  • Isophthalaldehydonitrile, 2-methoxy-
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