1,2-Dipropyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

CAS Registry Number®

870002-07-6
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CAS Name

1,2-Dipropyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

Molecular Formula

C22H22Cl2N4O4

Molecular Mass

477.34

Cite this Page

1,2-Dipropyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=870002-07-6 (retrieved 2024-09-20) (CAS RN: 870002-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H22Cl2N4O4/c1-3-13-31-21(29)27-19(15-5-9-17(23)10-6-15)25-26-20(16-7-11-18(24)12-8-16)28(27)22(30)32-14-4-2/h5-12H,3-4,13-14H2,1-2H3

InChIKey

InChIKey=GDDRAIVQPAZSJU-UHFFFAOYSA-N

SMILES

C(OCCC)(=O)N1N(C(OCCC)=O)C(=NN=C1C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C(OCCC)N1C(=NN=C(C=2C=CC(Cl)=CC2)N1C(=O)OCCC)C=3C=CC(Cl)=CC3

Other Names for this Substance

  • 1,2,4,5-Tetrazine-1,2-dicarboxylic acid, 3,6-bis(4-chlorophenyl)-, 1,2-dipropyl ester
  • 1,2,4,5-Tetrazine-1,2-dicarboxylic acid, 3,6-bis(4-chlorophenyl)-, dipropyl ester
  • 1,2-Dipropyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate