1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetraf - ≥97% , CAS No.282109-83-5

CAS: 282109-83-5 Cat. No.: B115649 Peso molecular: 478.42 Número EC: 625-294-3 PubChem CID: 11375006

GRADE & PURITY ≥97%

Synonyms

SIPr-HBF4 | SY009876 | 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-1-ium tetrafluoroborate | SC11685 | DTXSID60463955 | A819375 | SCHEMBL260939 | MB02767 | BP-12269 | DS-8710 | 1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazolium tetrafluoroborate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SIPr-HBF4 | SY009876 | 1, 3-bis(2, 6-diisopropylphenyl)-4, 5-dihydroimidazol-1-ium tetrafluoroborate | SC11685 | DTXSID60463955 | A819375 | SCHEMBL260939 | MB02767 | BP-12269 | DS-8710 | 1, 3-Bis(2, 6-di-i-propylphenyl)-4, 5-dihydroimidazolium tetrafluoroborate

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197447
• Sonrisas canónicas: [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;tetrafluoroborate
• InChIKey: KFZBJQUHHALFSR-UHFFFAOYSA-N
• INCHI: 1S/C27H39N2.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1(3,4)5/h9-14,17-21H,15-16H2,1-8H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C
• WGK Alemania: 3
• PubChem CID: 11375006
• Número ONU: 1759
• Grupo de embalaje: II
• Peso molecular: 478.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Imidazolines Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cumene - Phenylpropane - Aniline or substituted anilines - 2-imidazoline - Organic metalloid salt - Amidine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Azacycle - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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): >300°C
• Peso molecular: 478.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 478.314 Da
• Monoisotopic Mass: 478.314 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 486.000
• 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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