CAS 1871-22-3|TETRAZOLIUM BLUE CHLORIDE|3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2,5-diphenyl-2H-tetrazolium chloride|2-{4-[4-(diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-met...

General Information

Structure

Molecular Formula

C₄₀H₃₂Cl₂N₈O₂

Molecular Mass

727.64048

Exact Mass

726.20252766

Charge

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

Canonic Smiles

COc1cc(ccc1[n+]1nc(nn1c1ccccc1)c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccccc1)c1ccccc1.[Cl-].[Cl-]

Isomeric Smiles

[Cl-].[Cl-].COc1cc(ccc1[n+]1nc(nn1c1ccccc1)c1ccccc1)c1cc(OC)c(cc1)[n+]1nc(nn1c1ccccc1)c1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

4.51

LogD (pH = 5.5)

4.51

Log P

4.51

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

-2.67

Polar Surface Area

87.64

Polarizability

73.31

Molar Refractivity

260.61

Data Source

Names and Identifiers

Synonyms

TETRAZOLIUM BLUE CHLORIDE3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2,5-diphenyl-2H-tetrazolium chlorideBlue Tetrazolium chlorideBTC3,3′-Dianisole-4,4′-bis(3,5-diphenyltetrazolium chloride)TZ3,3′-(3,3′-Dimethoxy[1,1′-biphenyl]-4,4′-diyl)-bis(2,5-diphenyl-2H-tetrazolium) dichlorideTetrazolium Blue ChlorideBlue Tetrazolium chloride氯化四氮唑兰Tetrazolium Blue chloridetetrazolium blueDitetrazolium chlorideDimethoxy neotetrazolium3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis(2,5-diphenyl-2H-tetrazolium) chloride4-Anisyltetrazolium blueBlue tetrazolium3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazolium chloride)Blue tetrazolium chloride

IUPAC Traditional name

2-{4-[4-(diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium dichloride 2-{4-[4-(diphenyl-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-1,2λ⁵,3,4-tetrazol-2-ylium dichloride 2-[4'-(3,5-diphenyl-1,2lambda5,3,4-tetrazol-2-ylium-2-yl)-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]-3,5-diphenyl-1,2lambda5,3,4-tetrazol-2-ylium dichloride

IUPAC name

2-{4-[4-(diphenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium dichloride 2-{4-[4-(diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium dichloride 2-[4'-(3,5-diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl)-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]-3,5-diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium dichloride

Names and Identifiers

Registration numbers

CAS Number

1871-22-3

EC Number

217-488-8

PubChem SID

24900207162088750163835475

MDL Number

Beilstein Number

PubChem CID

Merck Index

PubMed Citation Links

SureChEMBL Database

Reaxys Registry

CHEMBL

CHEBI ID

CompTox Database

ACToR Database

Registration numbers

Properties

Physical Property

Melting Point

255°C

255 °C (dec.)(lit.)

ca 255°C dec.

Absorption Wavelength

λmax 254 nm

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C40H32Cl2N8O2

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02103018

Crystalline
Useful in assay of reducing sugars.¹ Also used in the preparation of DNA cation complexes and immuno-
adsorbents for anti-DNA antibodies.²

Sigma Aldrich

T4375

包装
1, 5, 10, 25 g in glass bottle
Application
Tetrazolium blue chloride (BTC) is a colorless tetrazolium compound that upon reduction forms a colored diformazan.1 The reactivity has been applied to the analysis of reducing compounds including the nanomolar detection of reducing sugars2 and carbidopa and methyldopa.3 BTC has been used for histological staining of mouse coronal brain sections4 and rat brain sections.5 In combination with 4-nitrocatechol, tetrazolium blue chloride forms a ternary complex with molybdenum(VI) for extraction and spectrophotometric determination of molybdenum.6

ChEBI

CHEBI:75198

An organic chloride salt having tetrazolium blue(1+) as the counterion.

Molecule Details

References

PubChem Literature

From Data Sources

• Needle, V.A. and DeBari, V.A., J. Immunol Methods , 40 : 89, (1981).

• Robin, J.P., Tollier, M.T., Sci. Aliments , 1 : 233, (1981).

• For use in the oxidation of steroids, see: J. Chem. Soc., Chem. Commun., 2687 (1988).

• Reagent for identification of reducing sugars.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

IUPAC name

Registration numbers

CAS Number

1871-22-3

EC Number

217-488-8

PubChem SID

24900207162088750163835475

MDL Number

Beilstein Number

PubChem CID

Merck Index

PubMed Citation Links

SureChEMBL Database

Reaxys Registry

CHEMBL

CHEBI ID

CompTox Database

ACToR Database

Properties

Physical Property

Melting Point

255°C

255 °C (dec.)(lit.)

ca 255°C dec.

Absorption Wavelength

λmax 254 nm

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C40H32Cl2N8O2

Molecule Details

MP Biomedicals

02103018

Crystalline
Useful in assay of reducing sugars.¹ Also used in the preparation of DNA cation complexes and immuno-
adsorbents for anti-DNA antibodies.²

Sigma Aldrich

T4375

ChEBI

CHEBI:75198

An organic chloride salt having tetrazolium blue(1+) as the counterion.

References

PubChem Literature

From Data Sources

• Needle, V.A. and DeBari, V.A., J. Immunol Methods , 40 : 89, (1981).

• Robin, J.P., Tollier, M.T., Sci. Aliments , 1 : 233, (1981).

• For use in the oxidation of steroids, see: J. Chem. Soc., Chem. Commun., 2687 (1988).

• Reagent for identification of reducing sugars.

Bioactivity

PubChem BioAssay

Molecule

ID:102778