1,4-Bis[(1H-imidazol-1-yl)methyl]benzene - ≥98%(GC) , CAS No.56643-83-5

CAS: 56643-83-5 Cat. No.: B152247 Peso molecular: 238.29

GRADE & PURITY ≥98%(GC)

Synonyms

1,4-bis(imidazol-1-ylmethyl)benzene | 1,4-Bis[(1H-imidazol-1-yl)methyl]benzene | 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole | 1,4-Bis(imidazole-l-ylmethyl)benzene | 1,4-Bis((1H-imidazol-1-yl)methyl)benzene | α,α'-Bis[(1-imidazolyl)methyl]-p-xylene

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-bis(imidazol-1-ylmethyl)benzene | 1, 4-Bis[(1H-imidazol-1-yl)methyl]benzene | 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole | 1, 4-Bis(imidazole-l-ylmethyl)benzene | 1, 4-Bis((1H-imidazol-1-yl)methyl)benzene | α, α'-Bis[(1-imidazolyl)methyl]-p-xylene

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488191760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191760
• Sonrisas canónicas: C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3
• IUPAC Name: 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
• InChIKey: NKUFFYFOBGGDTP-UHFFFAOYSA-N
• INCHI: 1S/C14H14N4/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
• Isómeros SMILES: C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3
• Peso molecular: 238.29
• Reaxy-Rn: 223140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=223140&ln=

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: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubilidad: souble in Methanol
• Punto de fusión (°C): 130-134℃
• Peso molecular: 238.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.122 Da
• Monoisotopic Mass: 238.122 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 224.000
• 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: 1

Referencias

1. Xue Yang, Miao Yu, Tao Hang, Wenjing Chen, Xianming Chen, Mingji Zhou, Chunqin Yang, Jianjun Zhang, Houwen Liu, Zongyi Ma, Min Zhu, Yuanming Chen.  (2026)  Corrosion inhibition performance of three imidazole derivatives in acidic etching solutions to fabricate copper lines of printed circuit boards.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2026.108630]