1-vinyl-3-ethyliMidazoliuM tetrafluoroborate - ≥98.5% , CAS No.936030-51-2

CAS: 936030-51-2 Cat. No.: M305000 Molecular Weight: 209.98 PubChem CID: 87188763

GRADE & PURITY ≥98.5%

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Specifications & Purity

≥98.5%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98.5%

Names and Identifiers

• Pubchem Sid: 488202437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202437
• Canonical Smiles: [B-](F)(F)(F)F.CC[N+]1=CN(C=C1)C=C
• IUPAC Name: 1-ethenyl-3-ethylimidazol-3-ium;tetrafluoroborate
• InChIKey: WRESBYYLOONQQY-UHFFFAOYSA-N
• INCHI: 1S/C7H11N2.BF4/c1-3-8-5-6-9(4-2)7-8;2-1(3,4)5/h3,5-7H,1,4H2,2H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CC[N+]1=CN(C=C1)C=C
• PubChem CID: 87188763
• Molecular Weight: 209.98

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 Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - 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: moisture sensitive
• Molecular Weight: 209.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.095 Da
• Monoisotopic Mass: 210.095 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 120.000
• 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. Jia Man, Yang Jian, Sun Ya Kun, Bai Xi, Wu Tao, Liu Zhao Sheng, Aisa Haji Akber.  (2017)  Improvement of imprinting effect of ionic liquid molecularly imprinted polymers by use of a molecular crowding agent.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  410  (2): (595-604).  [PMID:29260284] [10.1007/s00216-017-0760-5]