4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile

CAS Registry Number®

110234-70-3
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CAS Name

4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile

Molecular Formula

C5H4F3NO

Molecular Mass

151.09

Cite this Page

4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110234-70-3 (retrieved 2024-06-27) (CAS RN: 110234-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    52-57 °C @ Press: 2.7 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C5H4F3NO/c1-3(2-9)4(10)5(6,7)8/h3H,1H3

InChIKey

InChIKey=NFAUIXAQBBGDDW-UHFFFAOYSA-N

SMILES

C(C(F)(F)F)(C(C#N)C)=O

Canonical SMILES

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

Other Names for this Substance

  • Butanenitrile, 4,4,4-trifluoro-2-methyl-3-oxo-
  • 4,4,4-Trifluoro-2-methyl-3-oxobutanenitrile
  • 3-Oxo-4,4,4-trifluoro-2-methylbutanenitrile