3,5-Dimethyl-4-isoxazolecarbonitrile

CAS Registry Number®

31301-46-9

CAS Name

3,5-Dimethyl-4-isoxazolecarbonitrile

Molecular Formula

C6H6N2O

Molecular Mass

122.12

Cite this Page

3,5-Dimethyl-4-isoxazolecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31301-46-9 (retrieved 2024-11-22) (CAS RN: 31301-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    30 °C @ Press: 1.5 Torr

  • Melting Point (1)

    46 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C6H6N2O/c1-4-6(3-7)5(2)9-8-4/h1-2H3

InChIKey

InChIKey=NBLIVFMKDQOTHN-UHFFFAOYSA-N

SMILES

C(#N)C=1C(C)=NOC1C

Canonical SMILES

N#CC=1C(=NOC1C)C

Other Names for this Substance

  • 4-Isoxazolecarbonitrile, 3,5-dimethyl-
  • 3,5-Dimethyl-4-isoxazolecarbonitrile
  • 4-Cyano-3,5-dimethylisoxazole
  • 3,5-Dimethyl-1,2-oxazole-4-carbonitrile

CAS INSIGHTSTM
Targeted protein degrader structure, illustration