1,3-Dicyclohexylbenzimidazolium chloride - ≥95% , CAS No.1034449-15-4

CAS: 1034449-15-4 Cat. No.: D165555 Peso molecular: 318.88

GRADE & PURITY ≥95%

Synonyms

1,3-Dicyclohexylbenzimidazolium chloride, 95% | 1,3-Dicyclohexyl-1H-benzo[d]imidazol-3-iumchloride | SCHEMBL1045366 | 1034449-15-4 | BS-50879 | 1,3-Dicyclohexylbenzimidazolium chloride | DTXSID50584845 | 1,3-Dicyclohexyl-1H-benzimidazol-3-ium chloride | 1

Storage

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

Shipped In

Wet ice

Descripción general

Application：

Catalyst in rhodium-N-heterocyclic carbene complex-catalyzed O-arylation of phenols with arylbromides； 

Reactant in preparation of Pd-PEPPSI complexes for catalysis of cross-coupling reactions；

Specifications

Sinónimos

1, 3-Dicyclohexylbenzimidazolium chloride, 95% | 1, 3-Dicyclohexyl-1H-benzo[d]imidazol-3-iumchloride | SCHEMBL1045366 | 1034449-15-4 | BS-50879 | 1, 3-Dicyclohexylbenzimidazolium chloride | DTXSID50584845 | 1, 3-Dicyclohexyl-1H-benzimidazol-3-ium chloride | 1

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)N2C=[N+](C3=CC=CC=C32)C4CCCCC4.[Cl-]
• IUPAC Name: 1,3-dicyclohexylbenzimidazol-3-ium;chloride
• InChIKey: JACUDTKAZHCIPU-UHFFFAOYSA-M
• INCHI: 1S/C19H27N2.ClH/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;/h7-8,13-17H,1-6,9-12H2;1H/q+1;/p-1
• Isómeros SMILES: C1CCC(CC1)N2C=[N+](C3=CC=CC=C32)C4CCCCC4.[Cl-]
• Peso molecular: 318.88
• Reaxy-Rn: 23411586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23411586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: N-substituted imidazoles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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 sensitive
• Punto de fusión (°C): 216-220 °C
• Peso molecular: 318.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 318.186 Da
• Monoisotopic Mass: 318.186 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 298.000
• 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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