4-Iodophenylethylalcohol - ≥97% , CAS No.52914-23-5

CAS: 52914-23-5 Cat. No.: I185000 Formula: C₈H₉IO Molecular Weight: 248.06 EC Number: 898-198-4

GRADE & PURITY ≥97%

Synonyms

GYUSTTSSRXDFKG-UHFFFAOYSA-N | J-515577 | 4-iodophenylethyl alcohol | AM20040637 | Phenethyl alcohol, p-iodo- | FT-0648030 | 2-(4-iodophenyl)ethan-1-ol | A847040 | 2-(4-iodophenyl)ethanol | 2-(4-Iodo-phenyl)-ethanol | 4-06-00-03082 (Beilstein Handbook Refe

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

GYUSTTSSRXDFKG-UHFFFAOYSA-N | J-515577 | 4-iodophenylethyl alcohol | AM20040637 | Phenethyl alcohol, p-iodo- | FT-0648030 | 2-(4-iodophenyl)ethan-1-ol | A847040 | 2-(4-iodophenyl)ethanol | 2-(4-Iodo-phenyl)-ethanol | 4-06-00-03082 (Beilstein Handbook Refe

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CCO)I
• IUPAC Name: 2-(4-iodophenyl)ethanol
• InChIKey: GYUSTTSSRXDFKG-UHFFFAOYSA-N
• INCHI: 1S/C8H9IO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
• Isomeric SMILES: C1=CC(=CC=C1CCO)I
• Molecular Weight: 248.06
• Reaxy-Rn: 1933621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1933621&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Sensitivity: light and moisture sensitive
• Molecular Weight: 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: 87.300
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52914-23-5, the molecular formula is C8H9IO, and the molecular weight is 248.06 g/mol. InChIKey GYUSTTSSRXDFKG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.