3,4,5-Trichlorobenzotrifluoride

CAS Registry Number®

50594-82-6

CAS Name

3,4,5-Trichlorobenzotrifluoride

Molecular Formula

C7H2Cl3F3

Molecular Mass

249.45

Cite this Page

3,4,5-Trichlorobenzotrifluoride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50594-82-6 (retrieved 2024-11-24) (CAS RN: 50594-82-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    82-86 °C @ Press: 10 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

InChIKey

InChIKey=FBKFIAIRSQOXJR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

FC(F)(F)C1=CC(Cl)=C(Cl)C(Cl)=C1

Other Names for this Substance

  • Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-
  • 1,2,3-Trichloro-5-(trifluoromethyl)benzene
  • 3,4,5-Trichloro-α,α,α-trifluorotoluene
  • 3,4,5-Trichlorobenzotrifluoride

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