chempirical

Blue tetrazolium

C40H32Cl2N8O2CAS 1871-22-3727.65 g/mol

Open in Covalent MOL file
ON+NNNON+NNNCl−Cl−
Ether

Properties

Molecular formula
C40H32Cl2N8O2
Molar mass
727.65 g/mol
Exact mass
726.2025 Da
Melting point
242–245 °C (decomposes)
logP
0.43Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
9

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
1871-22-3
SMILES
COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccccc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccccc1.[Cl-].[Cl-]
InChIKey
MUUHXGOJWVMBDY-UHFFFAOYSA-L
InChI
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

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Names and synonyms

15 names · show all
  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3,5-diphenyl-, chloride (1:2)
  • 3,3′-(3,3′-Dimethoxy-4,4′-biphenylylene)bis[2,5-diphenyl-2H-tetrazolium chloride]
  • 2H-Tetrazolium, 3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)bis[2,5-diphenyl-, dichloride
  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3,5-diphenyl-, dichloride
  • BT
  • 3,3′-Dianisolebis[4,4′-(3,5-diphenyl)tetrazolium chloride]
  • 3,3′-(3,3′-Dimethoxy-4,4′-biphenylene)bis[2,5-diphenyl-2H-tetrazolium chloride]
  • Ditetrazolium chloride
  • Tetrazolium blue
  • 2,2′,5,5′-Tetraphenyl-3,3′-(3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chloride
  • Blue tetrazolium chloride
  • 2,2′-(m,m′-Dimethoxy-p,p′-biphenylene)bis(3,5-diphenyltetrazolium chloride)
  • BT (dye)
  • NSC 27623
  • Tetrazolium blue chloride

Work with Blue tetrazolium

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

Nitro Blue Tetrazolium chloride298-83-975 % similar Tetranitro blue tetrazolium chloride1184-43-668 % similar Tetrazolium chloride298-96-457 % similar Tetrazolium violet1719-71-756 % similar 2,3,5-Triphenyltetrazolium bromide1096-80-648 % similar (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)298-93-142 % similar Int (chemical)146-68-939 % similar Wst-8193149-74-538 % similar

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

Elsewhere

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