1-Chloro-2-nitro-4-(trifluoromethyl)benzene

CAS Registry Number®

121-17-5

CAS Name

1-Chloro-2-nitro-4-(trifluoromethyl)benzene

Molecular Formula

C7H3ClF3NO2

Molecular Mass

225.55

Cite this Page

1-Chloro-2-nitro-4-(trifluoromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121-17-5 (retrieved 2024-11-21) (CAS RN: 121-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    222 °C

  • Melting Point (1)

    -2.5 °C

  • Density (2)

    1.5421 g/cm³ @ Temp: 21 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=TZGFQIXRVUHDLE-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl

Canonical SMILES

O=N(=O)C1=CC(=CC=C1Cl)C(F)(F)F

Other Names for this Substance

  • Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-
  • Toluene, 4-chloro-α,α,α-trifluoro-3-nitro-
  • 1-Chloro-2-nitro-4-(trifluoromethyl)benzene
  • 4-Chloro-α,α,α-trifluoro-3-nitrotoluene
  • 3-Nitro-4-chloro-1-(trifluoromethyl)benzene

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