1,3-Dimethylimidazolium Chloride - ≥98% , CAS No.79917-88-7

CAS: 79917-88-7 Cat. No.: D121202 Molecular Weight: 132.59 EC Number: 680-194-7

GRADE & PURITY ≥98%

Synonyms

1,3-Dimethylimidazolium Chloride | 1,3-dimethyl-imidazolium chloride | DTXSID10453720 | 1,3-Dimethyl-1H-imidazol-3-ium chloride | 1,3-dimethylimidazol-1-ium;chloride | AS-10153 | FT-0696510 | 1,3-Dimethyl-1H-imidazol-3-iumchloride | AKOS015833171 | IIJSFQ

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 3-Dimethylimidazolium Chloride | 1, 3-dimethyl-imidazolium chloride | DTXSID10453720 | 1, 3-Dimethyl-1H-imidazol-3-ium chloride | 1, 3-dimethylimidazol-1-ium;chloride | AS-10153 | FT-0696510 | 1, 3-Dimethyl-1H-imidazol-3-iumchloride | AKOS015833171 | IIJSFQ

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197114
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197114
• Canonical Smiles: CN1C=C[N+](=C1)C.[Cl-]
• IUPAC Name: 1,3-dimethylimidazol-1-ium;chloride
• InChIKey: IIJSFQFJZAEKHB-UHFFFAOYSA-M
• INCHI: 1S/C5H9N2.ClH/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CN1C=C[N+](=C1)C.[Cl-]
• Molecular Weight: 132.59
• Reaxy-Rn: 3717990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717990&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 Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - 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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 125°C
• Molecular Weight: 132.590 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.045 Da
• Monoisotopic Mass: 132.045 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.100
• 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. Xuan Wang, Hmbat Batelbek, Xin Guo, Yanan Li, Yuzhu Wang, Fan Yang, Yinglin Wang, Xintong Zhang.  (2025)  Thermal-Assisted Fracture Healing Realizing High-Accuracy Polymer Crack Lithography.  ACS Applied Materials & Interfaces,      [PMID:41203566] [10.1021/acsami.5c10316]