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473863

Sigma-Aldrich

Octafluoro-1,4-diiodobutane

98%

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About This Item

Linear Formula:
I(CF2)4I
CAS Number:
Molecular Weight:
453.84
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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.)

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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Switching between halogen-and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide.
Oh SY, et al.
CrystEngComm, 14(19), 6110-6114 (2012)
Metric engineering of supramolecular Borromean rings.
Liantonio R, et al.
Chemical Communications (Cambridge, England), 17, 1819-1821 (2006)
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)
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
Liang Lu et al.
Journal of applied toxicology : JAT, 39(7), 945-954 (2019-03-06)
Fluorinated diiodine alkanes (FDIAs), important industrial intermediates in the synthesis of various perfluorinated compounds, which are distributed widely in wildlife and humans. Recent studies showed that FDIAs had in vitro estrogenic effects. However, to date, little information is available regarding

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