3,5-Bis(trifluoromethyl)benzonitrile

CAS Registry Number®

27126-93-8
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CAS Name

3,5-Bis(trifluoromethyl)benzonitrile

Molecular Formula

C9H3F6N

Molecular Mass

239.12

Cite this Page

3,5-Bis(trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27126-93-8 (retrieved 2024-04-29) (CAS RN: 27126-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    16-17 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H

InChIKey

InChIKey=CZKHHAOIHXHOSR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)benzonitrile
  • NSC 88316
  • 3,5-Bis(trifluoromethyl)-1-cyanobenzene
  • 2-Cyano-3,5-bis(trifluoromethyl)benzene

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