4-Iodophenol - ≥98% , CAS No.540-38-5

CAS: 540-38-5 Cat. No.: I107037 Summenformel: C₆H₅IO Molekulargewicht: 220.01 Beilstein Registry Number: 1904544 EG-Nummer: 208-745-5

QUALITÄT & REINHEIT ≥98%

Synonyms

UNII-BH194BAK0B | CAS-540-38-5 | 4-Hydroxyphenyl iodide | 4-Iodophenol, purum, >=98.0% (GC) | CCRIS 668 | 4-Hydroxyiodobenzene | Paraiodophenol | para-iodophenol | para-iodo-phenol | SCHEMBL5514 | EN300-21417 | p-Iodophenol | p-iodo-phenol | P-IODOPHENOL

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Übersicht

Product Application:

4-Iodophenol is used as a synthetic block for the synthesis of:
Hydroxy biaromatic compounds are produced by PD-catalyzed Suzuki-Miyaura coupling reaction with arylboric acid.
Aryl substituted alkenes are produced by PD-catalyzed Heck reaction with acrylates.
Iodide - 4-aroxymethyl coumarin.
Hydroxystilbenes and psammaplysene A and B.

Spezifikationen

Synonyme

UNII-BH194BAK0B | CAS-540-38-5 | 4-Hydroxyphenyl iodide | 4-Iodophenol, purum, >=98.0% (GC) | CCRIS 668 | 4-Hydroxyiodobenzene | Paraiodophenol | para-iodophenol | para-iodo-phenol | SCHEMBL5514 | EN300-21417 | p-Iodophenol | p-iodo-phenol | P-IODOPHENOL

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181216

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181216

Kanonisches Lächeln

C1=CC(=CC=C1O)I

IUPAC Name

4-iodophenol

InChIKey

VSMDINRNYYEDRN-UHFFFAOYSA-N

INCHI

1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Isomere SMILES

C1=CC(=CC=C1O)I

WGK Deutschland

3

RTECS

SL5600000

UN-Nummer

3261

Molekulargewicht

220.01

Beilstein

1904544

Reaxy-Rn

1904544

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904544&ln=

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: Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-iodophenol - 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
• 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: iodophenol

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)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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CCRF-CEM (65223 Activities)

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Zugehörige Ziele (nicht menschlich)

L1210 (27553 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol and ether. Slightly soluble in water.
• Empfindlichkeit: Light sensitive.
• Siedepunkt (°C): 138 °C/5 mmHg
• Schmelzpunkt (°C): 89-94°C
• Molekulargewicht: 220.010 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 219.939 Da
• Monoisotopic Mass: 219.939 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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