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Substance Name: Neotetrazolium chloride
RN: 298-95-3
UNII: QL8L44VE6R
InChIKey: WYFYSTBFFDOVJW-UHFFFAOYSA-L

Molecular Formula

  • C38-H28-N8.2Cl

Molecular Weight

  • 667.6012
 
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Names and Synonyms

Name of Substance

  • Neotetrazolium
  • Neotetrazolium chloride

Synonyms

  • 2,2'-(p-Diphenylene)-bis(3,5-diphenyl)ditetrazolium chloride
  • 2,2,5,5'-Tetraphenyl-3,3'-(p-diphenylene)ditetrazolium chloride
  • EINECS 206-070-0
  • Neo-T
  • Neot
  • Neotetrazolium
  • Neotetrazolium blue
  • Neotetrazolium chloride
  • Neotitrazolium chloride
  • NSC 27621
  • TP
  • UNII-QL8L44VE6R

Systematic Names

  • 2H-Tetrazolium, 3,3'-(1,1'-biphenyl)-4,4'-diylbis(2,5-diphenyl-, chloride (1:2)
  • 2H-Tetrazolium, 3,3'-(1,1'-biphenyl)-4,4'-diylbis(2,5-diphenyl-, dichloride
  • 3,3',5,5'-Tetraphenyl-2,2'-biphenyl-4,4'-yleneditetrazolium dichloride
  • 3,3'-(1,1'-Biphenyl)-4,4'-diylbis(2,5-diphenyl-2H-tetrazolium) dichloride

Registry Numbers

CAS Registry Number

  • 298-95-3

FDA UNII

  • QL8L44VE6R

Other Registry Numbers

  • 562102-24-3
  • 56862-92-1

System Generated Number

  • 0000298953

Molecular Formulas

Molecular Formula

  • C38-H28-N8.2Cl

Molecular Formula Fragments

  • C38-H28-N8
  • Cl
  • COMPONENT

Structure Descriptors

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

WYFYSTBFFDOVJW-UHFFFAOYSA-L

Smiles

c1ccc(cc1)c2nn([n+](n2)c3ccc(cc3)c4ccc(cc4)[n+]5nc(nn5c6ccccc6)c7ccccc7)c8ccccc8.[Cl-].[Cl-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 297 dec deg C   EXP
log P (octanol-water) 3.740 (none)   EST
Atmospheric OH Rate Constant 3.87E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.