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CAS 4439-02-5

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1,3-Benzodioxole-5-acetonitrile

Description:
1,3-Benzodioxole-5-acetonitrile, with the CAS number 4439-02-5, is an organic compound characterized by its unique structure that combines a benzodioxole moiety with an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its aromatic properties, which contribute to its stability and reactivity in various chemical reactions. The presence of the acetonitrile group introduces a nitrile functional group, which can participate in nucleophilic addition reactions and is often used in organic synthesis. Additionally, 1,3-benzodioxole derivatives are of interest in medicinal chemistry due to their potential biological activities. The compound is soluble in organic solvents, making it useful in various applications, including pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C9H7NO2
InChI:InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChI key:InChIKey=ZQPBOYASBNAXOZ-UHFFFAOYSA-N
SMILES:C(C#N)C=1C=C2C(=CC1)OCO2
Synonyms:
  • (1,3-Benzodioxol-5-yl)acetonitrile
  • (Benzo[1,3]dioxol-5-yl)acetonitrile
  • (Benzodioxol-5-yl)acetonitrile
  • 1,3-Benzodioxol-5-Ylacetonitrile
  • 1,3-Benzodioxole-5-acetonitrile
  • 2-(1,3-Benzodioxol-5-yl)acetonitrile
  • 2-(1,3-Dioxaindan-5-yl)acetonitrile
  • 2-(2H-1,3-Benzodioxol-5-yl)acetonitrile
  • 2-(3,4-Methylenedioxyphenyl)acetonitrile
  • 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
  • See more synonyms
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