4-Iodophenol - ≥98% , CAS No.540-38-5

CAS: 540-38-5 Cat. No.: I107037 Formule: C₆H₅IO Poids moléculaire: 220.01 Beilstein Registry Number: 1904544 Numéro CE: 208-745-5

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181216

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1O)I

WGK Allemagne

3

RTECS

SL5600000

Numéro ONU

3261

Poids moléculaire

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

L1210 (27553 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in alcohol and ether. Slightly soluble in water.
• Sensibilité: Light sensitive.
• Point d'ébullition (°C): 138 °C/5 mmHg
• Point de fusion (°C): 89-94°C
• Poids moléculaire: 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