3,5-Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

CAS Registry Number®

59694-23-4
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CAS Name

3,5-Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

Molecular Formula

C7H7N3O6

Molecular Mass

229.15

Cite this Page

3,5-Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59694-23-4 (retrieved 2024-09-07) (CAS RN: 59694-23-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-124 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C7H7N3O6/c1-15-6(11)3-5(10(13)14)4(9-8-3)7(12)16-2/h1-2H3,(H,8,9)

InChIKey

InChIKey=RRANRLASTUBGSJ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C(C(OC)=O)=NNC1C(OC)=O

Canonical SMILES

O=C(OC)C1=NNC(C(=O)OC)=C1N(=O)=O

Other Names for this Substance

  • 1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, 3,5-dimethyl ester
  • 1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, dimethyl ester
  • 3,5-Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
  • 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
  • Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate