3,5-Dinitrobenzotrifluoride

CAS Registry Number®

401-99-0

CAS Name

3,5-Dinitrobenzotrifluoride

Molecular Formula

C7H3F3N2O4

Molecular Mass

236.10

Cite this Page

3,5-Dinitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=401-99-0 (retrieved 2024-11-24) (CAS RN: 401-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    125-127 °C @ Press: 9 Torr

  • Melting Point (2)

    49-50 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

InChIKey

InChIKey=QZADIXWDDVQVKM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=C(C=C(C1)C(F)(F)F)N(=O)=O

Other Names for this Substance

  • Benzene, 1,3-dinitro-5-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-3,5-dinitro-
  • 1,3-Dinitro-5-(trifluoromethyl)benzene
  • 3,5-Dinitrobenzotrifluoride
  • α,α,α-Trifluoro-3,5-dinitrotoluene

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