Nitroblue tetrazolium chloride structure

Nitroblue tetrazolium chloride

2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium dichloride

CAS: 38184-50-8
Molecular Formula C40H30Cl2N10O6
Molecular Weight 817.6 g/mol
Topological Polar Surface Area 179.0 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 12
Rotatable Bonds 9
Exact Mass 816.17267
Heavy Atoms 58
Complexity 1180.0

Chemical Identifiers

CAS Number 38184-50-8
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]
InChIKey FSVCQIDHPKZJSO-UHFFFAOYSA-L

📖 Product Overview

Nitroblue tetrazolium chloride (CAS: 38184-50-8) is a chemical compound with molecular formula C40H30Cl2N10O6 and molecular weight 817.6 g/mol. Its IUPAC systematic name is 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium dichloride. Topological Polar Surface Area 179.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 9 Exact Mass 816.17267 Heavy Atoms 58 Complexity 1180.0 InChI Key: FSVCQIDHPKZJSO-UHFFFAOYSA-L. SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-].

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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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