4-Iodophenol - ≥98% , CAS No.540-38-5

CAS: 540-38-5 Cat. No.: I107037 Formula: C₆H₅IO Molecular Weight: 220.01 Beilstein Registry Number: 1904544 EC Number: 208-745-5

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181216

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C1=CC(=CC=C1O)I

WGK Germany

3

RTECS

SL5600000

UN Number

3261

Molecular Weight

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
    • Class Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 P-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

CCRF-CEM (65223 Activities)

Explore this target

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

Associated Targets(non-human)

L1210 (27553 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol and ether. Slightly soluble in water.
• Sensitivity: Light sensitive.
• Boil Point(°C): 138 °C/5 mmHg
• Melt Point(°C): 89-94°C
• Molecular Weight: 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