Ethylviologen Dibromide - ≥98% , CAS No.53721-12-3

CAS: 53721-12-3 Cat. No.: E137263 分子式: C₁₄H₁₈Br₂N₂ 分子量: 374.11 EC番号: 626-504-6

GRADE & PURITY ≥98%

Synonyms

E1430 | Ethyl viologen dibromide, 99% | SCHEMBL483094 | SY316627 | AKOS024283397 | AS-19987 | 1,1 inverted exclamation mark -Diethyl-[4,4 inverted exclamation mark -bipyridine]-1,1 inverted exclamation mark -diium Bromide | YSWG424 | 1,1'-Diethyl-[4,4'-bi

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

Ethyl viologen dibromide (1,1-diethyl- 4,4-bipyridinium dibromide) has been used as an internal standard in analysis of paraquat and diquat in the serum using high-performance liquid chromatography. It has also been used as as an internal standard in the quantitative analysis of paraquat in biological samples by liquid chromatography- electrospray ionization-mass spectrometry.

Specifications

同義語

E1430 | Ethyl viologen dibromide, 99% | SCHEMBL483094 | SY316627 | AKOS024283397 | AS-19987 | 1,1 inverted exclamation mark -Diethyl-[4,4 inverted exclamation mark -bipyridine]-1,1 inverted exclamation mark -diium Bromide | YSWG424 | 1,1'-Diethyl-[4,4'-bi

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504766468
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504766468
• カノニカル・スマイル: CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[Br-].[Br-]
• IUPAC Name: 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
• InChIKey: LCEBDKLPALDQPV-UHFFFAOYSA-L
• INCHI: 1S/C14H18N2.2BrH/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2
• 異性体SMILES: CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[Br-].[Br-]
• WGKドイツ: 3
• 代替CAS番号: 46713-38-6
• 分子量: 374.11
• Reaxy-Rn: 6946079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6946079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - 4,4p-bipyridinium - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 感度: Hygroscopic
• 融点（°C）: 278°C
• 分子量: 374.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 373.982 Da
• Monoisotopic Mass: 371.984 Da
• Topological Polar Surface Area: 7.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 167.000
• 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

XLogP3

参考文献

1. Liangliang Wu, Huajing Fang, Jiaqi Li, Lingqi Wu, Hong Wang.  (2023)  Catalyzing Viologen Electrochromic Reaction with CuOx Nanoparticles.  Advanced Materials Technologies,  8  (22): (2301028).  [PMID:] [10.1002/admt.202301028]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53721-12-3, the molecular formula is C14H18Br2N2, and the molecular weight is 374.11 g/mol. InChIKey LCEBDKLPALDQPV-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.