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...

基本信息

化学结构

分子式

C₄₀H₃₂Cl₂N₈O₂

分子量

727.64048

精确质量

726.20252766

电荷

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

计算属性

JChem

LogD (pH = 7.4)

4.51

LogD (pH = 5.5)

4.51

Log P

4.51

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

-2.67

极化表面积

87.64

极化性

73.31

摩尔折射率

260.61

数据来源

名称和标识

别名

3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2,5-diphenyl-2H-tetrazolium chlorideTETRAZOLIUM BLUE CHLORIDEBlue Tetrazolium chlorideBTC3,3′-Dianisole-4,4′-bis(3,5-diphenyltetrazolium chloride)TZTetrazolium Blue Chloride3,3′-(3,3′-Dimethoxy[1,1′-biphenyl]-4,4′-diyl)-bis(2,5-diphenyl-2H-tetrazolium) dichlorideBlue Tetrazolium chlorideTetrazolium Blue chloride氯化四氮唑兰tetrazolium blueDimethoxy neotetrazoliumDitetrazolium chloride3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis(2,5-diphenyl-2H-tetrazolium) chloride4-Anisyltetrazolium blueBlue tetrazolium chlorideBlue tetrazolium3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazolium chloride)

IUPAC传统名

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标准名

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

名称和标识

数据登录号

CAS号

1871-22-3

EC号

217-488-8

PubChem SID

24900207162088750163835475

MDL号

Beilstein号

PubChem CID

默克索引号

CompTox数据库

PubMed文献链接

CHEMBL

SureChEMBL数据库

CHEBI ID

Reaxys Registry

ACToR数据库

数据登录号

化合物性质

理化性质

熔点

255°C

255 °C (dec.)(lit.)

ca 255°C dec.

紫外吸收波长

λmax 254 nm

产品相关信息

下载链接

C40H32Cl2N8O2

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

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.

描述信息

参考文献

PubChem文献

数据源提供

• 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.

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC传统名

IUPAC标准名

数据登录号

CAS号

1871-22-3

EC号

217-488-8

PubChem SID

24900207162088750163835475

MDL号

Beilstein号

PubChem CID

默克索引号

CompTox数据库

PubMed文献链接

CHEMBL

SureChEMBL数据库

CHEBI ID

Reaxys Registry

ACToR数据库

描述信息

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.

参考文献

PubChem文献

数据源提供

• 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.