Tetrazolium blue structure

Tetrazolium blue

2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride

Also Known As: Tetrazolium blue|Blue tetrazolium|Tetrazolium Blue Chloride|Blue tetrazolium chloride|Ditetrazolium chloride|Dimethoxy neotetrazolium|ditetrazolium blue|4-Anisyltetrazolium blue|Blue tetrazolium BT|p-anisyltetrazolium blue|Blue Tetrazolium (chloride)|BT (VAN)|?Tetrazolium Blue Chloride|TETRAZOLIUM BLUE [MI]|EINECS 217-488-8|Tetrazolium Blue Chloride (>90%)|KS-00000YDT|3,3'-(3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis(2,5-diphenyl-2H-tetrazol-3-ium) chloride|HY-D0007|AI3-50892|7096AF|CT-083

CAS: 1871-22-3
Molecular Formula C40H32Cl2N8O2
Molecular Weight 726.2025 g/mol
LogP 0.4276
Topological Polar Surface Area 87.64 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 726.2025
Monoisotopic Mass 726.2025
Heavy Atoms 52
Complexity 2235.5156

Chemical Identifiers

CAS Number 1871-22-3
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-]

Product Overview

Tetrazolium blue (CAS 1871-22-3), with molecular formula C40H32Cl2N8O2 and molecular weight 726.2025 g/mol. IUPAC: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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