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Merck
CN

473863

Octafluoro-1,4-diiodobutane

98%

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About This Item

Linear Formula:
I(CF2)4I
CAS Number:
Molecular Weight:
453.84
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-788-4
MDL number:
Assay:
98%
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Quality Level

assay

98%

refractive index

n20/D 1.429 (lit.)

bp

150 °C (lit.)

mp

−9 °C (lit.)

density

2.474 g/mL at 25 °C (lit.)

functional group

fluoro, iodo

SMILES string

FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I

InChI

1S/C4F8I2/c5-1(6,3(9,10)13)2(7,8)4(11,12)14

InChI key

JILAKKYYZPDQBE-UHFFFAOYSA-N

General description

Octafluoro-1,4-diiodobutane (ofib, C4F8I2) is also referred to as 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane. It acts as a halogen bond donor compound and its cocrystallization with methyldiphenylphosphine oxide (mdppo) has been investigated. In combination with a calixcrown compound ofib forms a ′binary host′ system, which is employed for the isolation of cesium iodide from aqueous to fluorous phase.

Application

Octafluoro-1,4-diiodobutane may be used as a guest molecule to prepare a chiral bidentate inclusion complex with pyridyl moieties of a pyridoallenoacetylenic host. It may be employed in the synthesis of three-component supramolecular complexes.


Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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Silvia Castro-Fernández et al.
Organic letters, 16(4), 1136-1139 (2014-02-12)
A chiral bidentate inclusion complex has been formed by halogen-bond interaction between the pyridyl moieties of a pyridoallenoacetylenic host and octafluorodiiodobutane. X-ray crystallography showed that the guest adopts a chiral conformation inside the molecular channels formed by stacking of the
Dipyridinocalixcrown/diiodoperfluorocarbon binary host systems for CsI: structural studies and fluorous phase extraction of caesium.
Gattuso G, et al.
Tetrahedron, 63(23), 4951-4958 (2007)
Metric engineering of supramolecular Borromean rings.
Liantonio R, et al.
Chemical Communications (Cambridge, England), 17, 1819-1821 (2006)



Global Trade Item Number

SKUGTIN
473863-5G04061837073700