366706
1-Iodo-3,5-bis(trifluoromethyl)benzene
98%
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About This Item
Linear Formula:
(CF3)2C6H3I
CAS Number:
Molecular Weight:
340.00
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
1-Iodo-3,5-bis(trifluoromethyl)benzene, 98%
InChI
1S/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H
SMILES string
FC(F)(F)c1cc(I)cc(c1)C(F)(F)F
InChI key
VDPIZIZDKPFXLI-UHFFFAOYSA-N
assay
98%
form
liquid
refractive index
n20/D 1.463 (lit.)
bp
59-61 °C/10 mmHg (lit.)
density
1.919 g/mL at 25 °C (lit.)
Quality Level
Related Categories
Application
1-Iodo-3,5-bis(trifluoromethyl)benzene may be used in the preparation of [bis(trifluoroacetoxy)iodo]perfluoroalkanes. It may be used to investigate the fragmentation reactions of (E)- and (Z)-2-methylbuten-1-yl(aryl)iodonium triflates (aryl = C6H5-, 4-(CF3)C6H4, 3,5-(CF3)2C6H4-).
General description
1-Iodo-3,5-bis(trifluoromethyl)benzene is a halogenated hydrocarbon.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
165.2 °F - closed cup
flash_point_c
74 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Aleksandra A Zagulyaeva et al.
The Journal of organic chemistry, 75(6), 2119-2122 (2010-02-19)
[Bis(trifluoroacetoxy)iodo]perfluoroalkanes C(n)F(2n+1)I(OCOCF(3))(2) (n = 4, 6, 8, 10, 12) can be conveniently prepared by the oxidation of the corresponding perfluoroalkyl iodides with Oxone in trifluoroacetic acid at room temperature and subsequently converted to the stable [hydroxy(tosyloxy)iodo]perfluoroalkanes, C(n)F(2n+1)I(OH)OTs, by treatment with
Fragmentations of (E)-and (Z)-isomers of 2-methylbuten-1-yl (aryl) iodonium triflates: competing mechanisms for enol triflate formation.
Hinkle RJ.
ARKIVOC (Gainesville, FL, United States), 6, 201-212 (2003)
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