Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

CAS Registry Number®

2166-14-5
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CAS Name

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

Molecular Formula

C6H6N4O4

Molecular Mass

198.14

Cite this Page

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2166-14-5 (retrieved 2024-09-07) (CAS RN: 2166-14-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3

InChIKey

InChIKey=QODPSGGFQFBWME-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1N=NC(C(OC)=O)=NN1

Canonical SMILES

O=C(OC)C1=NN=C(N=N1)C(=O)OC

Other Names for this Substance

  • 1,2,4,5-Tetrazine-3,6-dicarboxylic acid, 3,6-dimethyl ester
  • s-Tetrazine-3,6-dicarboxylic acid, dimethyl ester
  • 1,2,4,5-Tetrazine-3,6-dicarboxylic acid, dimethyl ester
  • Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
  • 3,6-Bis(methoxycarbonyl)tetrazine

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Deleted or Replaced CAS Registry Numbers

76954-44-4