1,3-Di-t-butylimidazolium chloride - ≥98% , CAS No.157197-54-1

CAS: 157197-54-1 Cat. No.: D281479 Peso molecular: 216.76

GRADE & PURITY ≥98%

Synonyms

1H-Imidazolium,1,3-bis(1,1-dimethylethyl)-,chloride(1:1) | 1,3-di-t-butylimidazolium chloride | SY021265 | E85605 | 1,3-di-tert-Butyl-1H-imidazol-3-ium chloride | 1,3-di-tert-butylimidazolium chloride | SCHEMBL737414 | 1,3-di-tert-Butyl-1H-imidazol-3-iumc

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1H-Imidazolium, 1, 3-bis(1, 1-dimethylethyl)-, chloride(1:1) | 1, 3-di-t-butylimidazolium chloride | SY021265 | E85605 | 1, 3-di-tert-Butyl-1H-imidazol-3-ium chloride | 1, 3-di-tert-butylimidazolium chloride | SCHEMBL737414 | 1, 3-di-tert-Butyl-1H-imidazol-3-iumc

Especificaciones y pureza

≥98%

Información jurídica

NHC Ligand Kit 3: Variety of N-Heterocyclic Carbenes Kit component.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

• Sonrisas canónicas: CC(C)(C)N1C=C[N+](=C1)C(C)(C)C.[Cl-]
• IUPAC Name: 1,3-ditert-butylimidazol-1-ium;chloride
• InChIKey: GJECSWIRMFBYOI-UHFFFAOYSA-M
• INCHI: 1S/C11H21N2.ClH/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;/h7-9H,1-6H3;1H/q+1;/p-1
• Isómeros SMILES: CC(C)(C)N1C=C[N+](=C1)C(C)(C)C.[Cl-]
• Peso molecular: 216.76
• Reaxy-Rn: 6672777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6672777&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 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
• 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: light & Moisture & air sensitive
• Peso molecular: 216.750 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.139 Da
• Monoisotopic Mass: 216.139 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 154.000
• 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