1,3-Didecyl-2-methylimidazolium chloride - ≥96% , CAS No.70862-65-6

CAS: 70862-65-6 Cat. No.: D337623 Molecular Weight: 399.1 EC Number: 274-948-0

GRADE & PURITY ≥96%

Synonyms

CAS-70862-65-6 | FT-0736033 | 1,3-Didecyl-2-methylimidazolium chloride | AS-69213 | Tox21_202627 | EINECS 274-948-0 | 1H-Imidazolium,1,3-didecyl-2-methyl-, chloride (1:1) | 1,3-didecyl-2-methyl-1H-imidazol-3-ium chloride | 1,3-Didecyl-2-methylimidazolium

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

1,3-Didecyl-2-methylimidazolium chloride can be used:

           To prepare a new ionic liquid named 1,3-didecyl-2-methylimidazolium dicyanamide, which is applicable in the water/butan-1-ol separation process.

           To coat a graphene oxide and magnetite based nanocomposite applicable in the separation of hemin from serum samples.

           As a pore directing agent in the synthesis of mesoporous hectorites for drug delivery applications.

Specifications

Synonyms

CAS-70862-65-6 | FT-0736033 | 1, 3-Didecyl-2-methylimidazolium chloride | AS-69213 | Tox21_202627 | EINECS 274-948-0 | 1H-Imidazolium, 1, 3-didecyl-2-methyl-, chloride (1:1) | 1, 3-didecyl-2-methyl-1H-imidazol-3-ium chloride | 1, 3-Didecyl-2-methylimidazolium

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504761920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761920
• Canonical Smiles: CCCCCCCCCCN1C=C[N+](=C1C)CCCCCCCCCC.[Cl-]
• IUPAC Name: 1,3-didecyl-2-methylimidazol-1-ium;chloride
• InChIKey: GJYWPRKIEORZLX-UHFFFAOYSA-M
• INCHI: 1S/C24H47N2.ClH/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCN1C=C[N+](=C1C)CCCCCCCCCC.[Cl-]
• WGK Germany: 3
• Molecular Weight: 399.1
• Reaxy-Rn: 15321285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15321285&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: 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
• Melt Point(°C): 82° C
• Molecular Weight: 399.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 398.343 Da
• Monoisotopic Mass: 398.343 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 264.000
• 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