3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium] dichloride

Basic Information

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CAS Number

1184-43-6

Molecular Formula

C40H28Cl2N12O10

Molecular Weight

907.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

~170 °C (dec.)

Boiling Point

°Cat760mmHg

Density

1.6400

Solubility

Soluble in water, ethanol, methanol, N,Ndimethylformamide

SMILES

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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-]

InChI

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

InChIKey

VCESGVLABVSDRO-UHFFFAOYSA-L

LogP

2.15320

Complexity

1420

Safety Information

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GHS Hazard Pictograms

H350

Hazard Statement

H350 May cause cancer
Carcinogenicity

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

tetranitrotetrazolium blue
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3,5-bis(4-nitrophenyl)-, dichloride
DTXSID001340653
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3,5-bis(4-nitrophenyl)-, chloride (1:2)
NITROBLUE MONOTETRAZOLIUM CHLORIDE
Tetranitrotetrazolium blue chloride
Tetranitro Blue Tetrazolium [for Biochemical Research]
2,2',5,5'-Tetrakis-p-(nitrophenyl)-3,3'-bis(3,3'-dimethoxy-4,4'-diphenylene)ditetrazolium chloride
2H-Tetrazolium, 3,3'-(3,3'-dimethoxy-4,4'-biphenylylene)bis[2,5-bis(p-nitrophenyl)-, dichloride
AMY27010
MFCD00036338
Tetranitroblue tetrazolium chloride, >=85% (AT)
2,2',5,5'-Tetra-p-nitrophenyl-3,3'-(3,3'-dimethoxy-4,4'-biphenylene)ditetrazolium chloride
J-610058
3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis[2,5-bis(p-nitrophenyl)-2H-tetrazolium chloride]
NSC 121208
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3,5-bis(4-nitrophenyl)-, dichloride
CHEMBL3856120
NSC-121208
TNBT
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3,5-bis(4-nitrophenyl)-, chloride (1:2)
HY-D1193
3,3'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium) chloride
EINECS 214-665-1
3,3'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,5-bis(p-nitrophenyl)-2H-tetrazolium) dichloride
Tetranitro Blue Tetrazolium
Tetranitro Blue tetrazolium chloride hydrate
MPL95XJE37
CS-0142430
2,2',5,5'-Tetrakis(p-nitrophenyl)-3,3'-(3,3'-dimethoxy-4,4'-diphenylene)ditetrazolium chloride
NS00124768

MDL Number

MFCD00036338

FAQ

What regulatory guidelines apply to 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium] dichloride (CAS: 1184-43-6)?

This compound falls under the European Union's REACH regulations for chemical safety and health protection. It may also require classification and labeling according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). The United States Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) regulations may also apply based on its intended use.

Are there alternatives to 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium] dichloride (CAS: 1184-43-6) in synthesis?

Alternative reagents such as 3,3'-bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-yl]biphenyl or similar tetrazole derivatives can be used as substitutes depending on the specific synthetic requirements and desired properties.

What is the market or research trend for 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium] dichloride (CAS: 1184-43-6)?

Research interest in this compound is primarily driven by its potential applications in drug discovery and materials science. Market trends indicate increasing demand for compounds with specific electronic and optical properties, which this compound may offer.

How should waste containing 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2,5-bis(4-nitrophenyl)-2H-tetrazol-3-ium] dichloride (CAS: 1184-43-6) be handled?

Waste containing this compound should be collected in appropriate containers, labeled, and disposed of through a licensed hazardous waste management facility. Incineration may be a suitable method if approved, with strict environmental protection precautions and monitoring to ensure compliance with local and international regulations.