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Substance Name: Tetrazolium blue
RN: 1871-22-3
UNII: 0468TBH014
InChIKey: MUUHXGOJWVMBDY-UHFFFAOYSA-L

Molecular Formula

  • C40-H32-N8-O2.2Cl

Molecular Weight

  • 727.6528
 
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Names and Synonyms

Name of Substance

  • 4-Anisyltetrazolium blue
  • Tetrazolium blue

Synonyms

  • 3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazolium chloride)
  • 3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazoliumchloride)
  • 4-Anisyltetrazolium blue
  • AI3-50892
  • Blue tetrazolium
  • Blue tetrazolium chloride
  • BT (VAN)
  • Dimethoxy neotetrazolium
  • Ditetrazolium chloride
  • EINECS 217-488-8
  • NSC 27623
  • UNII-0468TBH014

Systematic Names

  • 2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3,5-diphenyl-, chloride (1:2)
  • 2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3,5-diphenyl-, dichloride
  • 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,5-diphenyl-
  • 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,5-diphenyl-, dichloride
  • 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy-4,4'-biphenylylene)bis(2,5-diphenyl-, dichloride (8CI)
  • 3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis(2,5-diphenyl-2H-tetrazolium) chloride

Registry Numbers

CAS Registry Number

  • 1871-22-3

FDA UNII

  • 0468TBH014

Other Registry Numbers

  • 101329-54-8
  • 106395-82-8
  • 1184-30-1
  • 146671-23-0
  • 3633-57-6
  • 412909-24-1
  • 42988-44-3
  • 562102-26-5
  • 679787-06-5

System Generated Number

  • 0001871223

Molecular Formulas

Molecular Formula

  • C40-H32-N8-O2.2Cl

Molecular Formula Fragments

  • C40-H32-N8-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C40H32N8O2.2ClH/c1-49-37-27-31(23-25-35(37)47-43-39(29-15-7-3-8-16-29)41-45(47)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)48-44-40(30-17-9-4-10-18-30)42-46(48)34-21-13-6-14-22-34;;/h3-28H,1-2H3;2*1H/q+2;;/p-2

InChIKey

MUUHXGOJWVMBDY-UHFFFAOYSA-L

Smiles

COc1cc(ccc1n2nc(n[n+]2c3ccccc3)c4ccccc4)c5ccc(c(c5)OC)n6nc(n[n+]6c7ccccc7)c8ccccc8.[Cl-].[Cl-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.350 (none)   EST
Atmospheric OH Rate Constant 6.89E-11 cm3/molecule-sec 25 EST

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