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Blue Tetrazolium

CAT: 0203-05107-41Size: 1 gDry Ice: NoHazardous: No
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CAT#:0203-05107-41Size:1 g
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CAS Number
1871-22-3
Storage Conditions
Room Temperature
Grade
GR (Guaranteed Reagent)

Chemical Information

Tetrazolium blue

Tetrazolium blue is an organic chloride salt having tetrazolium blue(1+) as the counterion. It has a role as a dye. It contains a tetrazolium blue(2+).

CAS Number1871-22-3
PubChem CID9853362
IUPAC Name2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride
Molecular FormulaC40H32Cl2N8O2
Molecular Weight727.6
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge0
Complexity951
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]
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
InChIKey
MUUHXGOJWVMBDY-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Tetrazolium blue
CAS: 1871-22-3
CID: 9853362
Formula: C40H32Cl2N8O2
MW: 727.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight727.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass726.2025277
Monoisotopic Mass726.2025277
Topological Polar Surface Area87.6 Ų
Heavy Atom Count52
Formal Charge0
Complexity951
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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