3-(Trifluoromethyl)benzonitrile

CAS Registry Number®

368-77-4

CAS Name

3-(Trifluoromethyl)benzonitrile

Molecular Formula

C8H4F3N

Molecular Mass

171.12

Cite this Page

3-(Trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=368-77-4 (retrieved 2024-11-22) (CAS RN: 368-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    189 °C

  • Melting Point (1)

    14.5 °C

  • Density (2)

    1.2821 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OGOBINRVCUWLGN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 3-(trifluoromethyl)-
  • m-Tolunitrile, α,α,α-trifluoro-
  • 3-(Trifluoromethyl)benzonitrile
  • m-(Trifluoromethyl)benzonitrile
  • α,α,α-Trifluoro-m-tolunitrile

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration