2-Nitrobenzotrifluoride

CAS Registry Number®

384-22-5

CAS Name

2-Nitrobenzotrifluoride

Molecular Formula

C7H4F3NO2

Molecular Mass

191.11

Cite this Page

2-Nitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=384-22-5 (retrieved 2024-11-24) (CAS RN: 384-22-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    217 °C

  • Melting Point (1)

    32.5 °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)5-3-1-2-4-6(5)11(12)13/h1-4H

InChIKey

InChIKey=NDZJSUCUYPZXPR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=CC=CC1C(F)(F)F

Other Names for this Substance

  • Benzene, 1-nitro-2-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-o-nitro-
  • 1-Nitro-2-(trifluoromethyl)benzene
  • o-Nitrobenzotrifluoride
  • 2-Nitro-α,α,α-trifluorotoluene

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