Neotetrazolium chloride

CAS Registry Number®

298-95-3
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CAS Name

Neotetrazolium chloride

Molecular Formula

C38H28N8.2Cl

Cite this Page

Neotetrazolium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=298-95-3 (retrieved 2024-04-30) (CAS RN: 298-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    297 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C38H28N8.2ClH/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2

InChIKey

InChIKey=WYFYSTBFFDOVJW-UHFFFAOYSA-L

SMILES

[N+]=1(N(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[N+]=6N(N=C(N6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-]

Canonical SMILES

[Cl-].N1=C(N=[N+](C=2C=CC(=CC2)C=3C=CC(=CC3)[N+]4=NC(=NN4C=5C=CC=CC5)C6=CC=CC=C6)N1C=7C=CC=CC7)C=8C=CC=CC8

Other Names for this Substance

  • 2H-Tetrazolium, 3,3′-[1,1′-biphenyl]-4,4′-diylbis[2,5-diphenyl-, chloride (1:2)
  • 3,3′-(4,4′-Biphenylylene)bis[2,5-diphenyl-2H-tetrazolium chloride]
  • 2H-Tetrazolium, 3,3′-(4,4′-biphenylylene)bis[2,5-diphenyl-, dichloride
  • 2H-Tetrazolium, 3,3′-[1,1′-biphenyl]-4,4′-diylbis[2,5-diphenyl-, dichloride
  • Neo-T

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Deleted or Replaced CAS Registry Numbers

56862-92-1, 562102-24-3

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