5-Chloro-2-nitrobenzotrifluoride

CAS Registry Number®

118-83-2
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CAS Name

5-Chloro-2-nitrobenzotrifluoride

Molecular Formula

C7H3ClF3NO2

Molecular Mass

225.55

Cite this Page

5-Chloro-2-nitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=118-83-2 (retrieved 2024-04-29) (CAS RN: 118-83-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    224 °C @ Press: 760 Torr

  • Melting Point (2)

    21-22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

InChIKey

InChIKey=CFPIGEXZPWTNOR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C1=CC=C(Cl)C=C1C(F)(F)F

Other Names for this Substance

  • Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
  • Toluene, 5-chloro-α,α,α-trifluoro-2-nitro-
  • 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
  • 4-Chloro-2-(trifluoromethyl)nitrobenzene
  • 5-Chloro-2-nitrobenzotrifluoride

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