2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene

CAS Registry Number®

346-44-1

CAS Name

2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene

Molecular Formula

C13H8F3NO2S

Molecular Mass

299.27

Cite this Page

2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=346-44-1 (retrieved 2024-12-02) (CAS RN: 346-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    70-71 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H8F3NO2S/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H

InChIKey

InChIKey=UBCNQWMQLBEUOC-UHFFFAOYSA-N

SMILES

S(C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1)C2=CC=CC=C2

Canonical SMILES

O=N(=O)C1=CC(=CC=C1SC=2C=CC=CC2)C(F)(F)F

Other Names for this Substance

  • Benzene, 2-nitro-1-(phenylthio)-4-(trifluoromethyl)-
  • Sulfide, phenyl α,α,α-trifluoro-2-nitro-p-tolyl
  • 2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene
  • (2-Nitro-4-(trifluoromethyl)phenyl)phenylthioether
  • (2-Nitro-4-(trifluoromethyl)phenyl)(phenyl)sulfane

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