2-Iodobenzofuran - ≥97% , CAS No.69626-75-1

CAS: 69626-75-1 Cat. No.: I589918 Formula: C₈H₅IO Molecular Weight: 244.03 EC Number: 966-130-3

GRADE & PURITY ≥97%

Synonyms

WIBOBANRAWSQLV-UHFFFAOYSA-N | EN300-646203 | SCHEMBL3452249 | MFCD18451197 | iodobenzofuran | 2-iodo-1-benzofuran | Benzofuran, 2-iodo- | BS-51676 | A917984 | 2-iodobenzofuran | 2-iodo-benzofuran | D83864 | DTXSID50550702 | YSWG268 | FT-0711242

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

WIBOBANRAWSQLV-UHFFFAOYSA-N | EN300-646203 | SCHEMBL3452249 | MFCD18451197 | iodobenzofuran | 2-iodo-1-benzofuran | Benzofuran, 2-iodo- | BS-51676 | A917984 | 2-iodobenzofuran | 2-iodo-benzofuran | D83864 | DTXSID50550702 | YSWG268 | FT-0711242

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

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=C2C(=C1)C=C(O2)I

IUPAC Name

2-iodo-1-benzofuran

InChIKey

WIBOBANRAWSQLV-UHFFFAOYSA-N

INCHI

1S/C8H5IO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)I

Molecular Weight

244.03

Reaxy-Rn

4798520

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4798520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Benzenoids Aryl iodides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Benzenoid - Aryl iodide - Aryl halide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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 sensitive; air sensitive
• Molecular Weight: 244.030 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.939 Da
• Monoisotopic Mass: 243.939 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 69626-75-1, the molecular formula is C8H5IO, and the molecular weight is 244.03 g/mol. InChIKey WIBOBANRAWSQLV-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.