5-Ethynyl-1,3-benzodioxole

CAS Registry Number®

57134-53-9

CAS Name

5-Ethynyl-1,3-benzodioxole

Molecular Formula

C9H6O2

Molecular Mass

146.14

Cite this Page

5-Ethynyl-1,3-benzodioxole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57134-53-9 (retrieved 2024-11-21) (CAS RN: 57134-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-82 °C @ Press: 2 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2

InChIKey

InChIKey=XMXCRJLWEKHZAV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

C#CC1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole, 5-ethynyl-
  • 5-Ethynyl-1,3-benzodioxole
  • 3,4-Methylenedioxyphenylacetylene
  • 5-Ethynylbenzodioxole
  • Benzo[1,3]dioxol-5-ylacetylene

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration