2-Nitro-4-(trifluoromethyl)benzonitrile

CAS Registry Number®

778-94-9

CAS Name

2-Nitro-4-(trifluoromethyl)benzonitrile

Molecular Formula

C8H3F3N2O2

Molecular Mass

216.12

Cite this Page

2-Nitro-4-(trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=778-94-9 (retrieved 2024-11-25) (CAS RN: 778-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    156-158 °C @ Press: 18-19 Torr

  • Melting Point (1)

    47-48 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

InChIKey

InChIKey=BQCWLXXZTCLGSZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 2-nitro-4-(trifluoromethyl)-
  • p-Tolunitrile, α,α,α-trifluoro-2-nitro-
  • 2-Nitro-4-(trifluoromethyl)benzonitrile
  • 2-Nitro-4-trifluoromethylbenzonitrile
  • NSC 88323

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