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1871-22-3 molecular structure
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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 ID: 102778
Molecular Formular: C40H32Cl2N8O2
Molecular Mass: 727.64048
Monoisotopic Mass: 726.20252766
SMILES and InChIs

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

Cite this record

CBID:102778 http://www.chembase.cn/molecule-102778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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
Synonyms
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
氯化四氮唑兰
CAS Number
1871-22-3
EC Number
217-488-8
MDL Number
MFCD00040933
Beilstein Number
3894077
Merck Index
149244
PubChem SID
162088750
24900207
PubChem CID
9853362

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5128517  LogD (pH = 7.4) 4.5128517 
Log P 4.5128517  Molar Refractivity 260.6106 cm3
Polarizability 78.70377 Å3 Polar Surface Area 87.64 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
255 °C (dec.)(lit.) expand Show data source
255°C expand Show data source
ca 255°C dec. expand Show data source
Absorption Wavelength
λmax 254 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
45 expand Show data source
Safety Statements
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H350 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C40H32Cl2N8O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02103018 external link
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 external link
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

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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).
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PATENTS

PATENTS

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INTERNET

INTERNET

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