1,3-Di-tert-butylimidazolium Tetrafluoroborate - ≥98%(HPLC)(N) , CAS No.263163-17-3

CAS: 263163-17-3 Cat. No.: D155598 Peso molecular: 268.11 Número EC: 626-289-9 PubChem CID: 16217979

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

1,3-Di-tert-butyl-1H-imidazol-3-iumtetrafluoroborate | 1,3-Bis(tert-butyl)-imidazol-2-ylidinium tetrafluoroborate, N,N'-Bis(tert-butyl)imidazolium tetrafluoroborate | SY074563 | ItBu.HBF4 | 1,3-Di-tert-butyl-1H-imidazol-3-ium tetrafluoroborate | 1,3-Di-te

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

1,3-Di-tert-butylimidazolium tetrafluoroborate is an N-heterocyclic carbene (NHC) compound that can be prepared by reacting paraformaldehyde with tert-butyl amine and hydrogen tetrafluoroborate (35% in water).

Specifications

Sinónimos

1, 3-Di-tert-butyl-1H-imidazol-3-iumtetrafluoroborate | 1, 3-Bis(tert-butyl)-imidazol-2-ylidinium tetrafluoroborate, N, N'-Bis(tert-butyl)imidazolium tetrafluoroborate | SY074563 | ItBu.HBF4 | 1, 3-Di-tert-butyl-1H-imidazol-3-ium tetrafluoroborate | 1, 3-Di-te

Especificaciones y pureza

≥98%(HPLC)(N)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(N)

Nombres e identificadores

• Pubchem Sid: 488199277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199277
• Sonrisas canónicas: [B-](F)(F)(F)F.CC(C)(C)N1C=C[N+](=C1)C(C)(C)C
• IUPAC Name: 1,3-ditert-butylimidazol-1-ium;tetrafluoroborate
• InChIKey: OOFLHRYFPBGTPQ-UHFFFAOYSA-N
• INCHI: 1S/C11H21N2.BF4/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;2-1(3,4)5/h7-9H,1-6H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CC(C)(C)N1C=C[N+](=C1)C(C)(C)C
• PubChem CID: 16217979
• Peso molecular: 268.11
• Reaxy-Rn: 8805202

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 Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic metalloid salt - 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

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 210 °C
• Peso molecular: 268.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.173 Da
• Monoisotopic Mass: 268.173 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 173.000
• 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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