1,2,4,5-Tetrafluoro-3,6-diiodobenzene

Base Information

• Chemical Name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene
• CAS No.: 392-57-4
• Molecular Formula: C6F4I2
• Molecular Weight: 401.869
• Hs Code.: 29039990
• European Community (EC) Number: 206-877-8
• DSSTox Substance ID: DTXSID50192444
• Nikkaji Number: J213.621J
• Wikidata: Q83065124
• Mol file: 392-57-4.mol

Synonyms:1,4-diiodotetrafluorobenzene

Chemical Property of 1,2,4,5-Tetrafluoro-3,6-diiodobenzene

Chemical Property:

• Appearance/Colour: WHITE POWDER, CRYSTALS OR CRYSTALLINE POWDER
• Vapor Pressure: 0.0308mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.608
• Boiling Point: 252.419 °C at 760 mmHg
• Flash Point: 101.827 °C
• PSA: 0.00000
• Density: 2.672 g/cm³
• LogP: 3.45220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 401.80256
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Diiodotetrafluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1I)F)F)I)F)F
• Uses: 1,4-Diiodotetrafluorobenzene has been used as the halogen bonding donor during the preparation of phosphorescent cocrystal with polycyclic aromatic hydrocarbons.

Technology Process of 1,2,4,5-Tetrafluoro-3,6-diiodobenzene

There total 6 articles about 1,2,4,5-Tetrafluoro-3,6-diiodobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

1,2,4,5-Tetrafluorobenzene (327-54-8) → 1,4-diiodo-2,3,5,6-tetrafluorobenzene (392-57-4)

Guidance literature:

With iodine; lithium tert-butoxide; In N,N-dimethyl-formamide; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol802411f

Reference yield:

2C6F4I2*C24H20N4 → 1,4-diiodo-2,3,5,6-tetrafluorobenzene (392-57-4) + C6F4I2*C24H20N4

Guidance literature:

In chloroform; at 20 ℃; for 144h; Sealed tube;

DOI:10.3390/molecules25040907

Reference yield:

hexafluoro dewar benzene → 1,4-diiodo-2,3,5,6-tetrafluorobenzene (392-57-4)

Guidance literature:

With aluminium(III) iodide; methyl iodide;

DOI:10.1039/j39690000489

upstream raw materials:

1,2,4,5-Tetrafluorobenzene

sulfuric acid

sulfur trioxide

iodine

Downstream raw materials:

(IF₄)2C₆F₄

C₁₈H₁₆N₆*C₆F₄I₂

C₁₈H₁₆N₆*C₆F₄I₂

Refernces

• 1、 Hellmann et al.. "-". . p. 3650. Retrieved 1955.
• 2、 Do, Hien-Quang,Daugulis, Olafs. "A simple base-mediated halogenation of acidic sp2 C-H bonds under noncryogenic conditions". supporting information; experimental part. p. 421 - 423. Retrieved 2009/07/04.