1,3-Benzodioxole-5-acetonitrile

CAS Registry Number®

4439-02-5

CAS Name

1,3-Benzodioxole-5-acetonitrile

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

1,3-Benzodioxole-5-acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4439-02-5 (retrieved 2024-11-21) (CAS RN: 4439-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160 °C @ Press: 10 Torr

  • Melting Point (1)

    49 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2

InChIKey

InChIKey=ZQPBOYASBNAXOZ-UHFFFAOYSA-N

SMILES

C(C#N)C=1C=C2C(=CC1)OCO2

Canonical SMILES

N#CCC1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-acetonitrile
  • Acetonitrile, [3,4-(methylenedioxy)phenyl]-
  • Homopiperonylonitrile
  • 5-Cyanomethyl-1,3-benzodioxole
  • 3,4-Methylenedioxybenzyl cyanide

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration