2,4,5-tribromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-Imidazole - ≥97% , CAS No.159590-01-9

CAS: 159590-01-9 Cat. No.: T1016485 Molecular Weight: 435.030

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOCN1C(=C(N=C1Br)Br)Br
• IUPAC Name: trimethyl-[2-[(2,4,5-tribromoimidazol-1-yl)methoxy]ethyl]silane
• InChIKey: PWLROCHXTREGKR-UHFFFAOYSA-N
• INCHI: 1S/C9H15Br3N2OSi/c1-16(2,3)5-4-15-6-14-8(11)7(10)13-9(14)12/h4-6H2,1-3H3
• Molecular Weight: 435.030

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Tetrasubstituted imidazoles
            • Level7 1,2,4,5-tetrasubstituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles - Tetrasubstituted imidazoles
• Direct Parent: 1,2,4,5-tetrasubstituted imidazoles
• Alternative Parents: N-substituted imidazoles Aryl bromides Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4,5-tetrasubstituted imidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Alkylsilane - Organooxygen compound - Organonitrogen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosilicon compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.
• 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

• Molecular Weight: 435.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 433.848 Da
• Monoisotopic Mass: 431.85 Da
• Topological Polar Surface Area: 27.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 227.000
• 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

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