4-(Trifluoromethyl)benzonitrile

CAS Registry Number®

455-18-5

CAS Name

4-(Trifluoromethyl)benzonitrile

Molecular Formula

C8H4F3N

Molecular Mass

171.12

Cite this Page

4-(Trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=455-18-5 (retrieved 2024-11-24) (CAS RN: 455-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-81 °C @ Press: 20 Torr

  • Melting Point (2)

    36-37 °C

  • Density (1)

    1.2784 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DRNJIKRLQJRKMM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 4-(trifluoromethyl)-
  • p-Tolunitrile, α,α,α-trifluoro-
  • 4-(Trifluoromethyl)benzonitrile
  • p-(Trifluoromethyl)benzonitrile
  • p-Cyanobenzotrifluoride

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