2-(Trifluoromethyl)benzonitrile

CAS Registry Number®

447-60-9
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CAS Name

2-(Trifluoromethyl)benzonitrile

Molecular Formula

C8H4F3N

Molecular Mass

171.12

Cite this Page

2-(Trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=447-60-9 (retrieved 2024-03-29) (CAS RN: 447-60-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    205 °C
  • Melting Point (1)

    18 °C
  • Density (2)

    1.2886 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=SOZGHDCEWOLLHV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 2-(trifluoromethyl)-
  • o-Tolunitrile, α,α,α-trifluoro-
  • 2-(Trifluoromethyl)benzonitrile
  • o-(Trifluoromethyl)benzonitrile
  • o-Cyanobenzotrifluoride

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