2-(2-Iodophenyl)ethan-1-ol - ≥97% , CAS No.26059-40-5

CAS: 26059-40-5 Cat. No.: I293828 Peso molecular: 248.061

GRADE & PURITY ≥97%

Synonyms

2-(2-iodophenyl)ethanol;Benzeneethanol,2-iodo; 2-iodophenyl ethanol; o-iodophenethyl alcohol; 2-(2'-iodophenyl)ethanol; 2-iodobenzeneethanol;

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(2-iodophenyl)ethanol;Benzeneethanol, 2-iodo; 2-iodophenyl ethanol; o-iodophenethyl alcohol; 2-(2'-iodophenyl)ethanol; 2-iodobenzeneethanol;

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)CCO)I
• IUPAC Name: 2-(2-iodophenyl)ethanol
• InChIKey: WUQBSMKQSLCUFC-UHFFFAOYSA-N
• INCHI: 1S/C8H9IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
• Isómeros SMILES: C1=CC=C(C(=C1)CCO)I
• Peso molecular: 248.061
• Reaxy-Rn: 1863066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Primary alcohols Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organoiodide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 294.7°C at 760 mmHg
• Peso molecular: 248.060 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.97 Da
• Monoisotopic Mass: 247.97 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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