1-Ethyl-3-methylimidazolium Tricyanomethanide - ≥98% , CAS No.666823-18-3

CAS: 666823-18-3 Cat. No.: E304331 Molecular Weight: 201.23 EC Number: 834-083-7

GRADE & PURITY ≥98%

Synonyms

3-Ethyl-1-methyl-1H-imidazol-3-ium Tricyanomethanide | 1-ethyl-3-methylimidazoliumtricyanomethanide | D90610 | 1-ethyl-3-methylimidazolium tricyanomethanide | 2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium | E1298 | MFCD22460460 | SCHEMBL41

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Maximum Absorption Wavelength：272 nm (H2O)

Specifications

Synonyms

3-Ethyl-1-methyl-1H-imidazol-3-ium Tricyanomethanide | 1-ethyl-3-methylimidazoliumtricyanomethanide | D90610 | 1-ethyl-3-methylimidazolium tricyanomethanide | 2, 2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium | E1298 | MFCD22460460 | SCHEMBL41

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772516
• Canonical Smiles: CCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-]
• IUPAC Name: 2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium
• InChIKey: SCAQVLGGENTPGK-UHFFFAOYSA-N
• INCHI: 1S/C6H11N2.C4N3/c1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7/h4-6H,3H2,1-2H3;/q+1;-1
• Isomeric SMILES: CCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-]
• Molecular Weight: 201.23
• Reaxy-Rn: 10388586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10388586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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
• Refractive Index: 1.51
• Melt Point(°C): -10°C(lit.)
• Molecular Weight: 201.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.101 Da
• Monoisotopic Mass: 201.101 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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: 2

XLogP3

References

1. Zhuoru Huang, Yuzi Zeng, Shiqi Tu, Guohan Zheng, Shichao Tian, Zhejia Li, Ping Wang, Hao Wan.  (2026)  Robust Polymeric Ionic Liquid/Ionic Liquid Solid-State Electrolyte Membrane for Miniaturized and High-Performance Electrochemical Gas Sensing.  ACS Sensors,      [PMID:] [10.1021/acssensors.5c03995]