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

• ChemBase编号: 102778
• 分子式: C40H32Cl2N8O2
• 平均质量: 727.64048
• 单一同位素质量: 726.20252766
• SMILES: [Cl-].[Cl-].COc1cc(ccc1[n+]1nc(nn1c1ccccc1)c1ccccc1)c1cc(OC)c(cc1)[n+]1nc(nn1c1ccccc1)c1ccccc1
• Canonical SMILES: COc1cc(ccc1[n+]1nc(nn1c1ccccc1)c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• 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

名称和登记号

名称

• 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-1,2λ^5,3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium dichloride
• 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-1,2λ^5,3,4-tetrazol-2-ylium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl}-3,5-diphenyl-1,2λ^5,3,4-tetrazol-2-ylium dichloride
• 别名: 氯化四氮唑兰; 3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2,5-diphenyl-2H-tetrazolium chloride; Blue Tetrazolium chloride; BTC; TETRAZOLIUM BLUE CHLORIDE; 3,3′-(3,3′-Dimethoxy[1,1′-biphenyl]-4,4′-diyl)-bis(2,5-diphenyl-2H-tetrazolium) dichloride; 3,3′-Dianisole-4,4′-bis(3,5-diphenyltetrazolium chloride); TZ; Tetrazolium Blue Chloride; Tetrazolium Blue chloride; Blue Tetrazolium chloride

登记号

• CAS号: 1871-22-3
• EC号: 217-488-8
• MDL号: MFCD00040933
• Beilstein号: 3894077
• 默克索引号: 149244
• PubChem SID: 24900207; 162088750
• PubChem CID: 9853362

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.5128517
• LogD (pH = 7.4): 4.5128517
• Log P: 4.5128517
• 摩尔折射率: 260.6106 cm^3
• 极化性: 78.70377 Å^3
• 极化表面积: 87.64 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 255 °C (dec.)(lit.); 255°C; ca 255°C dec.
• 紫外吸收波长: λmax 254 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 45
• 安全公开号: 53-45
• TSCA收录: 是
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H350
• GHS警示性声明: P201-P308 + P313

产品相关信息

• Empirical Formula (Hill Notation): C40H32Cl2N8O2

详细说明

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

参考文献

• Robin, J.P., Tollier, M.T., Sci. Aliments , 1 : 233, (1981).
• Needle, V.A. and DeBari, V.A., J. Immunol Methods , 40 : 89, (1981).
• Reagent for identification of reducing sugars.
• For use in the oxidation of steroids, see: J. Chem. Soc., Chem. Commun., 2687 (1988).