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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:
375-50-8
Molecular Weight:
453.84
EC Number:
206-788-4
MDL number:
MFCD00042263
UNSPSC Code:
12352100
PubChem Substance ID:
24870940
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

Related Categories

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Chang Wang et al.
Environmental health perspectives, 120(1), 119-125 (2011-10-13)
Polyfluorinated iodine alkanes (PFIs) are important intermediates in the synthesis of organic fluoride products. Recently, PFIs have been detected in fluoropolymers as residual raw materials, as well as in the ambient environment. High production volumes and potential environmental releases of
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