4-Bromo-2，6-diiodophenol - ≥97% , CAS No.15459-51-5

CAS: 15459-51-5 Cat. No.: B710645 Fórmula: C₆H₃BrI₂O Peso molecular: 424.8 PubChem CID: 10287922

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=C(C=C(C(=C1I)O)I)Br

IUPAC Name

4-bromo-2,6-diiodophenol

InChIKey

LFMOQCYPCSHKFH-UHFFFAOYSA-N

INCHI

1S/C6H3BrI2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

SMILES isoméricas

C1=C(C=C(C(=C1I)O)I)Br

PubChem CID

10287922

Peso molecular

424.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: O-iodophenols Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Organooxygen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 2-iodophenol - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 424.800 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 423.746 Da
• Monoisotopic Mass: 423.746 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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