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282286

Sigma-Aldrich

1,4-Diiodotetrafluorobenzene

98%

Synonym(s):

1,2,4,5-Tetrafluoro-3,6-diiodobenzene, 1,4-Diiodo-2,3,5,6-tetrafluorobenzene, 3,6-Diiodo-1,2,4,5-tetrafluorobenzene, Tetrafluoro-1,4-diiodobenzene, p-Diiodoperfluorobenzene

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About This Item

Empirical Formula (Hill Notation):
C6F4I2
CAS Number:
392-57-4
Molecular Weight:
401.87
EC Number:
206-877-8
MDL number:
MFCD00001055
UNSPSC Code:
12352100
PubChem Substance ID:
24857035
NACRES:
NA.22

Quality Level

100

assay

98%

mp

108-110 °C (lit.)

functional group

fluoro
iodo

SMILES string

Fc1c(F)c(I)c(F)c(F)c1I

InChI

1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11

InChI key

VIXRAZODEODOJF-UHFFFAOYSA-N

Related Categories

General description

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.

1,4-Diiodotetrafluorobenzene is a ditopic perfluorinated iodobenzene used for cocrystallization of halopyridinium salts.

Application

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK2940
STBJ6827
STBJ3948
STBJ3552
STBJ1608

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Jay Quentin et al.
Molecules (Basel, Switzerland), 25(4) (2020-02-23)
The halogen-bond (X-bond) donors 1,3- and 1,4-diiodotetrafluorobenzene (1,3-di-I-tFb and 1,4-di-I-tFb, respectively) form cocrystals with trans-1,2-bis(2-pyridyl)ethylene (2,2'-bpe) assembled by N···I X-bonds. In each cocrystal, 2(1,3-di-I-tFb)·2(2,2'-bpe) and (1,4-di-I-tFb)·(2,2'-bpe), the donor molecules support the C=C bonds of 2,2'-bpe to undergo an intermolecular [2+2]
Phosphorescent co-crystal assembled by 1, 4-diiodotetrafluorobenzene with carbazole based on C-Ip halogen bonding.
<BIG>Gao HY, et al. </BIG>
Journal of Materials Chemistry, 22(12), 5336-5343 (2012)
Mesogenic, trimeric, halogen-bonded complexes from alkoxystilbazoles and 1, 4-diiodotetrafluorobenzene.
<BIG>Bruce DW, et al. </BIG>
New. J. Chem., 32(3), 477-482 (2008)
Patrick M J Szell et al.
Nature communications, 10(1), 916-916 (2019-02-24)
Dynamic processes have many implications in functional molecules, including catalysts, enzymes, host-guest complexes, and molecular machines. Here, we demonstrate via deuterium NMR relaxation experiments how halogen bonding directly impacts the dynamics in solid 2,3,5,6-tetramethylpyrazine cocrystals, catalyzing the methyl group rotation.
Riccardo Bianchi et al.
Acta crystallographica. Section B, Structural science, 60(Pt 5), 559-568 (2004-09-16)
The electron density of the halogen-bonded complex of 4,4'-dipyridyl-N,N'-dioxide (bpNO) with 1,4-diiodotetrafluorobenzene (F(4)dIb) at 90 K has been determined by X-ray diffraction and analysed. The nature of the I.O intermolecular bond connecting the bpNO and F(4)dIb molecules into one-dimensional infinite
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Global Trade Item Number

SKUGTIN
282286-1G
282286-5G4061826228012

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