1,3-Bis(2,6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate - ≥97% , CAS No.2043361-32-4

CAS: 2043361-32-4 Cat. No.: A151145 Molecular Weight: 494.4 EC Number: 833-573-8 PubChem CID: 124203184

GRADE & PURITY ≥97%

Synonyms

1,3-bis[2,6-bis(propan-2-yl)phenyl]-2-fluoro-3H-1lambda-imidazol-1-ylium; tetrafluoroboranuide | SB18387 | 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoroimidazol-1-ium;tetrafluoroborate | 1,3-Bis(2,6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3-bis[2, 6-bis(propan-2-yl)phenyl]-2-fluoro-3H-1lambda-imidazol-1-ylium; tetrafluoroboranuide | SB18387 | 1, 3-bis[2, 6-di(propan-2-yl)phenyl]-2-fluoroimidazol-1-ium;tetrafluoroborate | 1, 3-Bis(2, 6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2F)C3=C(C=CC=C3C(C)C)C(C)C
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoroimidazol-1-ium;tetrafluoroborate
• InChIKey: ZXIKPDSPOFQTLH-UHFFFAOYSA-N
• INCHI: 1S/C27H36FN2.BF4/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;2-1(3,4)5/h9-20H,1-8H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2F)C3=C(C=CC=C3C(C)C)C(C)C
• PubChem CID: 124203184
• Molecular Weight: 494.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenylpropanes Cumenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Phenylpropane - Cumene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

• Sensitivity: Moisture Sensitive
• Molecular Weight: 494.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 494.289 Da
• Monoisotopic Mass: 494.289 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 472.000
• 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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