2-Iodothiophene - ≥97%, stabilized with copper , CAS No.3437-95-4

CAS: 3437-95-4 Cat. No.: I107041 Molecular Weight: 210.04 Beilstein Registry Number: 104666 EC Number: 222-342-1

GRADE & PURITY ≥97%, stabilized with copper

Synonyms

2-Thienyl iodide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-Thienyl iodide

Specifications & Purity

≥97%, stabilized with copper

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752913
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752913
• Canonical Smiles: C1=CSC(=C1)I
• IUPAC Name: 2-iodothiophene
• InChIKey: ROIMNSWDOJCBFR-UHFFFAOYSA-N
• INCHI: 1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
• Isomeric SMILES: C1=CSC(=C1)I
• WGK Germany: 3
• Molecular Weight: 210.04
• Beilstein: 104666
• Reaxy-Rn: 104666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl iodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl iodides
• Alternative Parents: Thiophenes Heteroaromatic compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl iodide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organoiodide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide functional group.
• 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 ；Moisture sensitive
• Refractive Index: 1.651-1.653
• Flash Point(°F): 170.6 °F
• Flash Point(°C): 71 °C
• Boil Point(°C): 73°C
• Melt Point(°C): -40°C
• Molecular Weight: 210.040 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.9 Da
• Monoisotopic Mass: 209.9 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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

References

1. Kan Zhan, Huanhuan You, Wenyu Liu, Jie Lu, Ping Lu, Jian Dong.  (2011)  Pd nanoparticles encaged in nanoporous interpenetrating polymer networks: A robust recyclable catalyst for Heck reactions.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2011.04.007]