4-Methoxy-α-(2,2,2-trifluoroacetyl)benzeneacetonitrile

CAS Registry Number®

22102-05-2
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CAS Name

4-Methoxy-α-(2,2,2-trifluoroacetyl)benzeneacetonitrile

Molecular Formula

C11H8F3NO2

Molecular Mass

243.18

Cite this Page

4-Methoxy-α-(2,2,2-trifluoroacetyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22102-05-2 (retrieved 2024-08-21) (CAS RN: 22102-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-79.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H8F3NO2/c1-17-8-4-2-7(3-5-8)9(6-15)10(16)11(12,13)14/h2-5,9H,1H3

InChIKey

InChIKey=LISQJPUFHGKGMA-UHFFFAOYSA-N

SMILES

C(C(C(F)(F)F)=O)(C#N)C1=CC=C(OC)C=C1

Canonical SMILES

N#CC(C(=O)C(F)(F)F)C1=CC=C(OC)C=C1

Other Names for this Substance

  • Benzeneacetonitrile, 4-methoxy-α-(2,2,2-trifluoroacetyl)-
  • Acetoacetonitrile, 4,4,4-trifluoro-2-(p-methoxyphenyl)-
  • Benzeneacetonitrile, 4-methoxy-α-(trifluoroacetyl)-
  • 4-Methoxy-α-(2,2,2-trifluoroacetyl)benzeneacetonitrile