3,3,3-Trifluoro-1-(3-nitrophenyl)-1-propanone

CAS Registry Number®

13541-06-5
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CAS Name

3,3,3-Trifluoro-1-(3-nitrophenyl)-1-propanone

Molecular Formula

C9H6F3NO3

Molecular Mass

233.14

Cite this Page

3,3,3-Trifluoro-1-(3-nitrophenyl)-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13541-06-5 (retrieved 2024-08-27) (CAS RN: 13541-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    89-90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6F3NO3/c10-9(11,12)5-8(14)6-2-1-3-7(4-6)13(15)16/h1-4H,5H2

InChIKey

InChIKey=VKUNLAZXIJUIDC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Propanone, 3,3,3-trifluoro-1-(3-nitrophenyl)-
  • Propiophenone, 3,3,3-trifluoro-3′-nitro-
  • 3,3,3-Trifluoro-1-(3-nitrophenyl)-1-propanone