Ethyl 5-nitro-1H-pyrazole-3-carboxylate

CAS Registry Number®

39846-84-9

CAS Name

Ethyl 5-nitro-1H-pyrazole-3-carboxylate

Molecular Formula

C6H7N3O4

Molecular Mass

185.14

Cite this Page

Ethyl 5-nitro-1H-pyrazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39846-84-9 (retrieved 2024-11-24) (CAS RN: 39846-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H7N3O4/c1-2-13-6(10)4-3-5(8-7-4)9(11)12/h3H,2H2,1H3,(H,7,8)

InChIKey

InChIKey=SNZZJCBTYCCHNG-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C=C(N(=O)=O)NN1

Canonical SMILES

O=C(OCC)C1=NNC(=C1)N(=O)=O

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-nitro-, ethyl ester
  • Ethyl 5-nitro-1H-pyrazole-3-carboxylate
  • 5-Nitro-3-pyrazolecarboxylic acid ethyl ester
  • Ethyl 3-nitro-1H-pyrazole-5-carboxylate

Deleted or Replaced CAS Registry Numbers

321742-18-1, 380593-30-6, 400825-03-8, 698978-98-2, 1092683-08-3, 1649469-52-2, 2416788-67-3, 2764670-74-6

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