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Merck
CN

282286

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
NACRES:
NA.22
PubChem Substance ID:
24857035
UNSPSC Code:
12352100
EC Number:
206-877-8
MDL number:
MFCD00001055
Assay:
98%

Key Documents

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Product Name

1,4-Diiodotetrafluorobenzene, 98%

InChI key

VIXRAZODEODOJF-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

98%

mp

108-110 °C (lit.)

functional group

fluoro
iodo

Quality Level

100

Related Categories

Application

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

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.

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

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
SDBB0582
SDBB0422
STBL1028
STBK2940
STBJ6827

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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]
Jiehao Fu et al.
iScience, 23(3), 100965-100965 (2020-03-22)
Here we introduce a σ-hole-containing volatile solid additive, 1, 4-diiodotetrafluorobenzene (A3), in PM6:Y6-based OSCs. Aside from the appropriate volatility of A3 additive, the synergetic halogen interactions between A3 and photoactive matrix contribute to more condensed and ordered molecular arrangement in
Halogen and hydrogen bond motifs in ionic cocrystals derived from 3-halopyridinium halogenides and perfluorinated iodobenzenes
Lidija P et al.
Crystal Growth & Design, 21, 6044-6050 (2021)
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)
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)
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