5-Methyl-3-isoxazoleacetonitrile

CAS Registry Number®

35166-41-7
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CAS Name

5-Methyl-3-isoxazoleacetonitrile

Molecular Formula

C6H6N2O

Molecular Mass

122.12

Cite this Page

5-Methyl-3-isoxazoleacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=35166-41-7 (retrieved 2024-05-02) (CAS RN: 35166-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    36-39 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3

InChIKey

InChIKey=FMCBKOOPDBRCGZ-UHFFFAOYSA-N

SMILES

C(C#N)C=1C=C(C)ON1

Canonical SMILES

N#CCC1=NOC(=C1)C

Other Names for this Substance

  • 3-Isoxazoleacetonitrile, 5-methyl-
  • 5-Methyl-3-isoxazoleacetonitrile
  • (5-Methylisoxazol-3-yl)acetonitrile
  • 2-(5-Methylisoxazol-3-yl)acetonitrile
  • 2-(5-Methyl-1,2-oxazol-3-yl)acetonitrile

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