4-Nitrobenzotrifluoride

CAS Registry Number®

402-54-0

CAS Name

4-Nitrobenzotrifluoride

Molecular Formula

C7H4F3NO2

Molecular Mass

191.11

Cite this Page

4-Nitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=402-54-0 (retrieved 2024-11-25) (CAS RN: 402-54-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    82 °C

  • Melting Point (1)

    39 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H

InChIKey

InChIKey=XKYLCLMYQDFGKO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-nitro-4-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-p-nitro-
  • 1-Nitro-4-(trifluoromethyl)benzene
  • p-Nitrobenzotrifluoride
  • α,α,α-Trifluoro-p-nitrotoluene

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