Blue Tetrazolium - ≥95%(T) , CAS No.1871-22-3

CAS: 1871-22-3 Cat. No.: B105508 Fórmula: C₄₀H₃₂Cl₂N₈O₂ Peso molecular: 727.64 Beilstein Registry Number: 3894077 Número EC: 217-488-8

GRADE & PURITY ≥95%(T)

Synonyms

BTC | 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride | 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy-4,4'-biphenylylene)bis(2,5-diphenyl-, dichloride | 3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazol

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Used in the assay of reducing sugars; Used in the preparation of DNA-cation complexes, immunoadsorbents for anti-DNA antibodies.

Specifications

Sinónimos

BTC | 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride | 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy-4,4'-biphenylylene)bis(2,5-diphenyl-, dichloride | 3,3'-Dianisolebis(4,4'-(3,5-diphenyl)tetrazol

Especificaciones y pureza

≥95%(T)

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥95%(T)

Nombres e identificadores

Pubchem Sid

488196366

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196366

Sonrisas canónicas

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=CC=CC=C4)C5=CC=CC=C5)OC)N6N=C(N=[N+]6C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

IUPAC Name

2-[4-[4-(3,5-diphenyltetrazol-3-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-3-ium;dichloride

InChIKey

MUUHXGOJWVMBDY-UHFFFAOYSA-L

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

Isómeros SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=CC=CC=C4)C5=CC=CC=C5)OC)N6N=C(N=[N+]6C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

WGK Alemania

3

Peso molecular

727.64

Beilstein

3894077

Reaxy-Rn

3894077

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3894077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyltetrazoles and derivatives Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenyltetrazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Tetrazole - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic chloride salt - Organic salt - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: organic chloride salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in hot water (5 mg/ml), methanol (50 mg/ml), ethanol, and chloroform. Insoluble in acetone.
• Sensibilidad: light sensitive
• Punto de fusión (°C): 225°C
• Peso molecular: 727.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 726.203 Da
• Monoisotopic Mass: 726.203 Da
• Topological Polar Surface Area: 87.600 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 951.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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