2,3,6-Trifluorobenzeneacetonitrile

CAS Registry Number®

114152-21-5
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CAS Name

2,3,6-Trifluorobenzeneacetonitrile

Molecular Formula

C8H4F3N

Molecular Mass

171.12

Cite this Page

2,3,6-Trifluorobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=114152-21-5 (retrieved 2024-04-28) (CAS RN: 114152-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-85 °C @ Press: 5 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2

InChIKey

InChIKey=PQIFHBOOYBTJLD-UHFFFAOYSA-N

SMILES

C(C#N)C1=C(F)C(F)=CC=C1F

Canonical SMILES

N#CCC=1C(F)=CC=C(F)C1F

Other Names for this Substance

  • Benzeneacetonitrile, 2,3,6-trifluoro-
  • 2,3,6-Trifluorobenzeneacetonitrile
  • 2-(2,3,6-Trifluorophenyl)acetonitrile
  • 2,3,6-Trifluorophenylacetonitrile

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