chempirical

Nitro Blue Tetrazolium chloride

C40H30Cl2N10O6CAS 298-83-9817.64 g/mol

Open in Covalent MOL file
ON+NNNN+OO−ON+NNNN+OO−Cl−Cl−
EtherNitro

Properties

Molecular formula
C40H30Cl2N10O6
Molar mass
817.64 g/mol
Exact mass
816.1727 Da
logP
0.24Crippen estimate
Polar surface area
173.9 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
298-83-9
SMILES
COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1.[Cl-].[Cl-]
InChIKey
FSVCQIDHPKZJSO-UHFFFAOYSA-L
InChI
InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, chloride (1:2)
  • 2H-Tetrazolium, 3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-phenyl-, dichloride
  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, dichloride
  • Tetrazolium, 3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-phenyl-2H-chloride]
  • 2,2′-Bis(p-nitrophenyl)-5,5′-diphenyl-3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)ditetrazolium chloride
  • 3,3′-(3,3′-Dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-phenyl-2H-tetrazolium chloride]
  • 3,3′-(3,3′-Dimethoxy-4,4′-diphenylene)bis[2-(p-nitrophenyl)-5-phenyltetrazolium chloride]
  • 2,2′-Di-p-nitrophenyl-5,5′-diphenyl-3,3′-bis(3,3′-dimethoxy-4,4′-biphenylene)ditetrazolium chloride
  • 2,2′-Dinitrophenyl-5,5′-diphenyl-3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chloride
  • Nitro BT
  • Tetrazolium nitro BT
  • Tetrazolium nitro blue
  • Nitro blue tetrazolium
  • Nitro tetrazolium BT
  • p-Nitro blue tetrazolium
  • 2,2′-Bis(p-nitrophenyl)-5,5′-diphenyl-3,3′-(3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chloride
  • Nitrotetrazolium chloride blue
  • Nitrotetrazolium blue
  • p-Nitrotetrazolium blue
  • NBT
  • p-Nitro blue tetrazolium chloride
  • NBT (dye)
  • p-NBT
  • NTB
  • NSC 27622
  • Nitro TB

Work with Nitro Blue Tetrazolium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetranitro blue tetrazolium chloride1184-43-693 % similar Blue tetrazolium1871-22-375 % similar Int (chemical)146-68-960 % similar Wst-8193149-74-555 % similar Tetrazolium chloride298-96-443 % similar Tetrazolium violet1719-71-743 % similar 4-Methoxy-4'-nitrobiphenyl2143-90-039 % similar 4-Nitro-1,1'-biphenyl92-93-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia