3-Chloro-4-nitrobenzotrifluoride

CAS Registry Number®

402-11-9
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CAS Name

3-Chloro-4-nitrobenzotrifluoride

Molecular Formula

C7H3ClF3NO2

Molecular Mass

225.55

Cite this Page

3-Chloro-4-nitrobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=402-11-9 (retrieved 2024-04-27) (CAS RN: 402-11-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    116 °C @ Press: 28 Torr

  • Density (1)

    1.527 g/cm³ @ Temp: 24 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=CZWWSPDHNLAYRJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

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