Thenoyltrifluoroacetone

CAS Registry Number®

326-91-0

CAS Name

Thenoyltrifluoroacetone

Molecular Formula

C8H5F3O2S

Molecular Mass

222.18

Cite this Page

Thenoyltrifluoroacetone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=326-91-0 (retrieved 2024-11-23) (CAS RN: 326-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    96-98 °C

  • Melting Point (1)

    42 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

InChIKey

InChIKey=TXBBUSUXYMIVOS-UHFFFAOYSA-N

SMILES

C(CC(C(F)(F)F)=O)(=O)C1=CC=CS1

Canonical SMILES

O=C(C=1SC=CC1)CC(=O)C(F)(F)F

Other Names for this Substance

  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-
  • 4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione
  • 2-Thenoyltrifluoroacetone
  • TTA
  • TTB

View All

Deleted or Replaced CAS Registry Numbers

365439-57-2, 2122854-03-7

CAS INSIGHTSTM
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