1-Ethyl-3-methylimidazolium Chloride - ≥98% , CAS No.65039-09-0

CAS: 65039-09-0 Cat. No.: E120488 Molecular Weight: 146.62 Beilstein Registry Number: 5163190 EC Number: 613-739-4

GRADE & PURITY ≥98%

Synonyms

1-ethyl-3-methylimidazol-3-ium;chloride | 1-ethyl-3-methyl-1H-imidazol-3-ium chloride | PH90AQ1E93 | 3-Ethyl-1-methyl-1H-imidazol-3-ium chloride | DTXSID1041180

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

1-Ethyl-3-methylimidazolium chloride is an organic salt and a room-temperature ionic liquid (RTIL). It is used as a solvent in many organic reactions due to its unique properties like small vapor pressures, high thermal stabilities and ionic conductivities.
1-Ethyl-3-methylimidazolium chloride is an imidazolium-based ionic liquid used as a solvent in the Diels−Alder Reaction.

Specifications

Synonyms

1-ethyl-3-methylimidazol-3-ium;chloride | 1-ethyl-3-methyl-1H-imidazol-3-ium chloride | PH90AQ1E93 | 3-Ethyl-1-methyl-1H-imidazol-3-ium chloride | DTXSID1041180

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761077
• Canonical Smiles: CCN1C=C[N+](=C1)C.[Cl-]
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride
• InChIKey: BMQZYMYBQZGEEY-UHFFFAOYSA-M
• INCHI: 1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCN1C=C[N+](=C1)C.[Cl-]
• WGK Germany: 2
• Molecular Weight: 146.62
• Beilstein: 5163190
• Reaxy-Rn: 5163190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5163190&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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - 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: elemental selenium

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic; heat sensitive
• Flash Point(°F): 366.8 °F
• Flash Point(°C): 186 °C
• Melt Point(°C): 84°C
• Molecular Weight: 146.620 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.061 Da
• Monoisotopic Mass: 146.061 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.900
• 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

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