1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione

CAS Registry Number®

758709-44-3
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CAS Name

1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione

Molecular Formula

C9H9F3N2O2

Molecular Mass

234.18

Cite this Page

1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=758709-44-3 (retrieved 2024-08-27) (CAS RN: 758709-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-162 °C

  • Melting Point (1)

    49-53 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9F3N2O2/c1-5-6(4-14(2)13-5)7(15)3-8(16)9(10,11)12/h4H,3H2,1-2H3

InChIKey

InChIKey=YOUQVUDXGZRPNP-UHFFFAOYSA-N

SMILES

C(CC(C(F)(F)F)=O)(=O)C1=CN(C)N=C1C

Canonical SMILES

O=C(C1=CN(N=C1C)C)CC(=O)C(F)(F)F

Other Names for this Substance

  • 1,3-Butanedione, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-
  • 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione
  • 1-(1,3-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione