2,4,6-Triiodophenol - ≥98%(HPLC) , CAS No.609-23-4

CAS: 609-23-4 Cat. No.: T162259 Summenformel: C₆H₃I₃O Molekulargewicht: 471.8 Beilstein Registry Number: 6211 EG-Nummer: 210-186-7 PubChem CID: 11862

GRADE & PURITY ≥98%(HPLC)

Synonyms

A832958 | HY-W073687 | NCGC00356970-01 | DTXSID8022080 | NSC2594 | NSC-2594 | SCHEMBL338137 | 2,4,6-Triiodophenol, certified reference material, TraceCERT(R) | InChI=1/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10 | 2,4,6-Trijodfenol | 2,4,6-Trijodfenol [Czech]

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A832958 | HY-W073687 | NCGC00356970-01 | DTXSID8022080 | NSC2594 | NSC-2594 | SCHEMBL338137 | 2,4,6-Triiodophenol, certified reference material, TraceCERT(R) | InChI=1/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10 | 2,4,6-Trijodfenol | 2,4,6-Trijodfenol [Czech]

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488181454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181454
• Kanonisches Lächeln: C1=C(C=C(C(=C1I)O)I)I
• IUPAC Name: 2,4,6-triiodophenol
• InChIKey: VAPDZNUFNKUROY-UHFFFAOYSA-N
• INCHI: 1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
• Isomere SMILES: C1=C(C=C(C(=C1I)O)I)I
• WGK Deutschland: 3
• RTECS: SN2800000
• PubChem CID: 11862
• Molekulargewicht: 471.8
• Beilstein: 6211
• Reaxy-Rn: 2046861

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Iodophenols
          • Ebene6 P-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: P-iodophenols
• Alternative Parents: O-iodophenols Iodobenzenes Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-iodophenol - 2-iodophenol - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-iodophenols. These are iodophenols 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

Zugehörige Ziele (menschlich)

HCT-8 (3484 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRA Tclin Thyroid hormone receptor (146 Activities)

Discover Target: THRA

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Zugehörige Ziele (nicht menschlich)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Cryptosporidium parvum (1150 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Light sensitive
• Schmelzpunkt (°C): 157-162℃
• Molekulargewicht: 471.800 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 471.732 Da
• Monoisotopic Mass: 471.732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

Referenzen

1. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]