3,5-Diiodophenol - ≥95% , CAS No.20981-79-7

CAS: 20981-79-7 Cat. No.: D1360191 Formule: C₆H₄I₂O Poids moléculaire: 345.91 Numéro CE: 977-027-8 PubChem CID: 15505783

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=C(C=C(C=C1I)I)O
• IUPAC Name: 3,5-diiodophenol
• InChIKey: KYRNAIDRKAWDLJ-UHFFFAOYSA-N
• INCHI: 1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
• Isomères SMILES: C1=C(C=C(C=C1I)I)O
• PubChem CID: 15505783
• Poids moléculaire: 345.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 M-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: M-iodophenols
• Alternative Parents: Iodobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-iodophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-iodophenols. These are iodophenols carrying a iodine at the C3 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

Propriétés chimiques et physiques

• Poids moléculaire: 345.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 345.835 Da
• Monoisotopic Mass: 345.835 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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