Tetranitroblue tetrazolium - ≥96% , CAS No.1184-43-6

CAS: 1184-43-6 Cat. No.: T109037 Molecular Weight: 907.63 Beilstein Registry Number: 3897475 EC Number: 214-665-1 PubChem CID: 121822

GRADE & PURITY ≥96%

Synonyms

TNBT | SCHEMBL2863232 | NITROBLUE MONOTETRAZOLIUM CHLORIDE | Tetranitro blue tetrazolium chloride | Blue p-nitrotetrazolium chloride | Tetranitro Blue Tetrazolium | [3,3'-(3,3'-Dimethoxy-4,4'-biphenylylene)bis[2,5-bis(p-nitrophenyl)-2H-tetrazolium chlorid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

TNBT | SCHEMBL2863232 | NITROBLUE MONOTETRAZOLIUM CHLORIDE | Tetranitro blue tetrazolium chloride | Blue p-nitrotetrazolium chloride | Tetranitro Blue Tetrazolium | [3, 3'-(3, 3'-Dimethoxy-4, 4'-biphenylylene)bis[2, 5-bis(p-nitrophenyl)-2H-tetrazolium chlorid

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Redox indicator for enzymes.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-].[Cl-].[Cl-]
• IUPAC Name: 2-[4-[4-[3,5-bis(4-nitrophenyl)tetrazol-2-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-bis(4-nitrophenyl)tetrazol-2-ium;dichloride
• InChIKey: VCESGVLABVSDRO-UHFFFAOYSA-L
• INCHI: 1S/C40H28N12O10.2ClH/c1-61-37-23-27(7-21-35(37)47-43-39(25-3-9-31(10-4-25)49(53)54)41-45(47)29-13-17-33(18-14-29)51(57)58)28-8-22-36(38(24-28)62-2)48-44-40(26-5-11-32(12-6-26)50(55)56)42-46(48)30-15-19-34(20-16-30)52(59)60;;/h3-24H,1-2H3;2*1H/q+2;;/p-2
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-].[Cl-].[Cl-]
• WGK Germany: 3
• PubChem CID: 121822
• Molecular Weight: 907.63
• Beilstein: 3897475

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyltetrazoles and derivatives Nitrobenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenyltetrazole - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Heteroaromatic compound - Tetrazole - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 161-166°C
• Molecular Weight: 907.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 906.143 Da
• Monoisotopic Mass: 906.143 Da
• Topological Polar Surface Area: 271.000 Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Gang Jian, Liang Feng, Yuhang Du, Ning Yang, Shangtao Zhu, Rui Dong, Yong Jiao.  (2023)  Dielectric properties of a linear polymer-matrix composite filled with aligned Ag@BaTiO3 flakes.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2023.169477]

2. Sainan Zhang, Ying Liu, Min Feng, Bowen Zhang, Tongtong Yu, Shiwei Xu, Guoyun Sun, Daoai Wang.  (2020)  Leaf-like MXene nanosheets intercalated TiO2 nanorod array photoelectrode with enhanced photoelectrochemical performance.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2020.229236]

3. Meijuan Chen, Xiaoyan Wei, Liaoliao Zhao, Yu Huang, Shun-cheng Lee, Wingkei Ho, Kehao Chen.  (2020)  Novel N/Carbon Quantum Dot Modified MIL-125(Ti) Composite for Enhanced Visible-Light Photocatalytic Removal of NO.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b06816]