1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.174899-81-1

CAS: 174899-81-1 Cat. No.: D305186 Peso molecular: 377.28 Número EC: 801-349-9

GRADE & PURITY ≥98%

Synonyms

SAYMDKMGIAANGQ-UHFFFAOYSA-N | 1,3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide | 1,3-dimethylimidazol-1-ium | 1,3-Dimethylimidazolium bis((trifluoromethyl)sulfonyl)imide|bis(trifluoromethylsulfonyl)azanide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SAYMDKMGIAANGQ-UHFFFAOYSA-N | 1, 3-Dimethylimidazolium Bis(trifluoromethanesulfonyl)imide | 1, 3-dimethylimidazol-1-ium | 1, 3-Dimethylimidazolium bis((trifluoromethyl)sulfonyl)imide | bis(trifluoromethylsulfonyl)azanide

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197424
• Sonrisas canónicas: CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1,3-dimethylimidazol-1-ium
• InChIKey: SAYMDKMGIAANGQ-UHFFFAOYSA-N
• INCHI: 1S/C5H9N2.C2F6NO4S2/c1-6-3-4-7(2)5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-5H,1-2H3;/q+1;-1
• Isómeros SMILES: CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Peso molecular: 377.28
• Reaxy-Rn: 9303969
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9303969&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: Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic cation - 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

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 22 °C
• Peso molecular: 377.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 376.994 Da
• Monoisotopic Mass: 376.994 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 429.000
• 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

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