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

CAS: 53721-12-3 Cat. No.: E137263 Molecular Weight: 374.11 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766468
• Canonical Smiles: 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
• Isomeric SMILES: CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[Br-].[Br-]
• WGK Germany: 3
• Alternate CAS: 46713-38-6
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 278°C
• Molecular Weight: 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

References

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]