1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone

CAS Registry Number®

131394-09-7

CAS Name

1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone

Molecular Formula

C6H6N4O5

Molecular Mass

214.14

Cite this Page

1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131394-09-7 (retrieved 2024-11-23) (CAS RN: 131394-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C6H6N4O5/c1-4(11)2-8-3-5(9(12)13)6(7-8)10(14)15/h3H,2H2,1H3

InChIKey

InChIKey=QPFQCQYRBRRLRK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C(N(=O)=O)=NN(CC(C)=O)C1

Canonical SMILES

O=C(C)CN1N=C(C(=C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • 2-Propanone, 1-(3,4-dinitro-1H-pyrazol-1-yl)-
  • 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
  • 1-(3,4-Dinitro-pyrazol-1-yl)-propan-2-one
  • 1-(3,4-Dinitropyrazol-1-yl)propan-2-one

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