1,3-Bis(4-chlorophenyl)imidazolium chloride - ≥97% , CAS No.141556-46-9

CAS: 141556-46-9 Cat. No.: B281495 Peso molecular: 325.63 Número EC: 687-008-3 PubChem CID: 15936878

GRADE & PURITY ≥97%

Synonyms

1,3-bis(4-chlorophenyl)imidazol-1-ium;chloride | 1H-Imidazolium, 1,3-bis(4-chlorophenyl)-, chloride (1:1) | SC11705 | 1,3-Bis(4-chlorophenyl)midazolium chloride | 1,3-Bis(4-chlorophenyl)-1H-imidazol-3-iumchloride | DTXSID80579865 | MFCD03788924 | 1,3-Bis(

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

1, 3-bis(4-chlorophenyl)imidazol-1-ium;chloride | 1H-Imidazolium, 1, 3-bis(4-chlorophenyl)-, chloride (1:1) | SC11705 | 1, 3-Bis(4-chlorophenyl)midazolium chloride | 1, 3-Bis(4-chlorophenyl)-1H-imidazol-3-iumchloride | DTXSID80579865 | MFCD03788924 | 1, 3-Bis(

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1N2C=C[N+](=C2)C3=CC=C(C=C3)Cl)Cl.[Cl-]
• IUPAC Name: 1,3-bis(4-chlorophenyl)imidazol-1-ium;chloride
• InChIKey: SANZEZUASUDVTC-UHFFFAOYSA-M
• INCHI: 1S/C15H11Cl2N2.ClH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-11H;1H/q+1;/p-1
• Isómeros SMILES: C1=CC(=CC=C1N2C=C[N+](=C2)C3=CC=C(C=C3)Cl)Cl.[Cl-]
• PubChem CID: 15936878
• Peso molecular: 325.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organic salt - Organic chloride salt - Organic cation - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: hygroscopic；light & Moisture sensitive
• Peso molecular: 325.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 323.999 Da
• Monoisotopic Mass: 323.999 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 256.000
• 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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