5-Nitrobenzotrifluoride

CAS Registry Number®

98-46-4
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CAS Name

5-Nitrobenzotrifluoride

Molecular Formula

C7H4F3NO2

Molecular Mass

191.11

Cite this Page

5-Nitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=98-46-4 (retrieved 2024-05-04) (CAS RN: 98-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    203 °C

  • Melting Point (2)

    -2.4 °C

  • Density (1)

    1.437 g/cm³ @ Temp: 15.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) 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)5-2-1-3-6(4-5)11(12)13/h1-4H

InChIKey

InChIKey=WHNAMGUAXHGCHH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-nitro-3-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-m-nitro-
  • 1-Nitro-3-(trifluoromethyl)benzene
  • m-(Trifluoromethyl)nitrobenzene
  • α,α,α-Trifluoro-m-nitrotoluene

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