1-Ethyl-3-methylimidazolium p-Toluenesulfonate - ≥98%(HPLC) , CAS No.328090-25-1

CAS: 328090-25-1 Cat. No.: E156363 Peso molecular: 282.36 Número EC: 680-026-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-81096 | 1-Ethyl-3-methylimidazolium tosylate, >=98.0% (HPLC) | 1-Ethyl-3-MethylimidazoliumP-Toluenesulfonate | 1-Ethyl-3-methylimidazolium tosylate | FT-0741677 | 1-Ethyl-3-methyl-1H-imidazol-3-ium4-methylbenzenesulfonate | MFCD03788929 | CAS-328090-25

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-81096 | 1-Ethyl-3-methylimidazolium tosylate, >=98.0% (HPLC) | 1-Ethyl-3-MethylimidazoliumP-Toluenesulfonate | 1-Ethyl-3-methylimidazolium tosylate | FT-0741677 | 1-Ethyl-3-methyl-1H-imidazol-3-ium4-methylbenzenesulfonate | MFCD03788929 | CAS-328090-25

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196760
• Sonrisas canónicas: CCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate
• InChIKey: HXMUPILCYSJMLQ-UHFFFAOYSA-M
• INCHI: 1S/C7H8O3S.C6H11N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-8-5-4-7(2)6-8/h2-5H,1H3,(H,8,9,10);4-6H,3H2,1-2H3/q;+1/p-1
• Isómeros SMILES: CCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• WGK Alemania: 3
• Peso molecular: 282.36
• Reaxy-Rn: 8732430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8732430&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.548
• Punto de fusión (°C): 25-35°C
• Peso molecular: 282.360 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 282.104 Da
• Monoisotopic Mass: 282.104 Da
• Topological Polar Surface Area: 74.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 266.000
• 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

Referencias

1. Xiangyang Liu, Jianchun Chu, Shaoxuan Huang, An Li, Shuanlai Wang, Maogang He.  (2023)  Machine Learning-Based Design of Ionic Liquids at the Atomic Scale for Highly Efficient CO2 Capture.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c01191]