Pentafluoroiodobenzene - ≥98%(GC) , CAS No.827-15-6

CAS: 827-15-6 Cat. No.: P137057 Molecular Weight: 293.96 Beilstein Registry Number: 5(4)695 EC Number: 212-565-2 PubChem CID: 70008

GRADE & PURITY ≥98%(GC)

Synonyms

Pentafluoroiodobenzene | EN300-115880 | Iodopentafluorobenzene, 99% | A840421 | benzene, 1,2,3,4,5-pentafluoro-6-iodo- | 1,2,3,4,5-pentafluoro-6-iodobenzene | EINECS 212-565-2 | MFCD00001032 | Q27461358 | DTXSID10231969 | Iodopentafluorobenzene | Iodoperf

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Iodopentafluorobenzene forms supramolecular complexes with aromatic electron donors by forming halogen bonds to form discrete heterodimeric aggregates
Its application includeIodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution, It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery, It has potential applications in plasma processing industry and in preparation of catalysts.

Specifications

Synonyms

Pentafluoroiodobenzene | EN300-115880 | Iodopentafluorobenzene, 99% | A840421 | benzene, 1, 2, 3, 4, 5-pentafluoro-6-iodo- | 1, 2, 3, 4, 5-pentafluoro-6-iodobenzene | EINECS 212-565-2 | MFCD00001032 | Q27461358 | DTXSID10231969 | Iodopentafluorobenzene | Iodoperf

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184452
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184452
• Canonical Smiles: C1(=C(C(=C(C(=C1F)F)I)F)F)F
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene
• InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
• INCHI: 1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F
• WGK Germany: 3
• PubChem CID: 70008
• Molecular Weight: 293.96
• Beilstein: 5(4)695
• Reaxy-Rn: 2051549

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: Fluorobenzenes Aryl iodides Aryl fluorides Organoiodides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Fluorobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organoiodide - Organofluoride - Organohalogen compound - 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 air sensitive
• Refractive Index: 1.5
• Boil Point(°C): 162 °C
• Molecular Weight: 293.960 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 293.896 Da
• Monoisotopic Mass: 293.896 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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