1,4-Diiodotetrafluorobenzene - ≥97% , CAS No.392-57-4

CAS: 392-57-4 Cat. No.: D303629 Molecular Weight: 401.87 EC Number: 206-877-8

GRADE & PURITY ≥97%

Synonyms

1,4-Diiodotetrafluorobenzene|392-57-4|1,2,4,5-Tetrafluoro-3,6-diiodobenzene|1,4-Diiodo-2,3,5,6-tetrafluorobenzene|MFCD00001055|EINECS 206-877-8|BENZENE, 1,2,4,5-TETRAFLUORO-3,6-DIIODO-|YSWG165|SCHEMBL1959035|DTXSID50192444|AMY25667|1,4-Diiodotetrafluorobe

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

1,4-Diiodotetrafluorobenzene forms trimeric complexes as new, halogen-bonded mesogens with two molecules of alkoxystilbazole. The electron density study of the halogen-bonded complex of 4,4′-dipyridyl-N,N′-dioxide with 1,4-diiodotetrafluorobenzene at 90K has been reported.

Application

1,4-Diiodotetrafluorobenzene has been used as the halogen bonding donor during the preparation of phosphorescent cocrystal with polycyclic aromatic hydrocarbons.

Specifications

Synonyms

1, 4-Diiodotetrafluorobenzene | 392-57-4 | 1, 2, 4, 5-Tetrafluoro-3, 6-diiodobenzene | 1, 4-Diiodo-2, 3, 5, 6-tetrafluorobenzene | MFCD00001055 | EINECS 206-877-8 | BENZENE, 1, 2, 4, 5-TETRAFLUORO-3, 6-DIIODO- | YSWG165 | SCHEMBL1959035 | DTXSID50192444 | AMY25667 | 1, 4-Diiodotetrafluorobe

Specifications & Purity

≥97%

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: 504754208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754208
• Canonical Smiles: C1(=C(C(=C(C(=C1I)F)F)I)F)F
• IUPAC Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene
• InChIKey: VIXRAZODEODOJF-UHFFFAOYSA-N
• INCHI: 1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
• Isomeric SMILES: C1(=C(C(=C(C(=C1I)F)F)I)F)F
• Molecular Weight: 401.87
• Reaxy-Rn: 1964227
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964227&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: 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

• Melt Point(°C): 107-108
• Molecular Weight: 401.870 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 401.803 Da
• Monoisotopic Mass: 401.803 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 134.000
• 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