Picrolonic acid

CAS Registry Number®

550-74-3

CAS Name

Picrolonic acid

Molecular Formula

C10H8N4O5

Molecular Mass

264.19

Cite this Page

Picrolonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=550-74-3 (retrieved 2024-12-18) (CAS RN: 550-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3

InChIKey

InChIKey=OVFUUSPKWADLNJ-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C)C1N(=O)=O)C2=CC=C(N(=O)=O)C=C2

Canonical SMILES

O=C1N(N=C(C)C1N(=O)=O)C2=CC=C(C=C2)N(=O)=O

Other Names for this Substance

  • 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-
  • Picrolonic acid
  • 2,4-Dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-3H-pyrazol-3-one
  • NSC 5049
  • 3-Methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one

Deleted or Replaced CAS Registry Numbers

46972-75-2

CAS INSIGHTSTM
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