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366706

Sigma-Aldrich

1-Iodo-3,5-bis(trifluoromethyl)benzene

98%

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About This Item

Linear Formula:
(CF3)2C6H3I
CAS Number:
328-73-4
Molecular Weight:
340.00
MDL number:
MFCD00040837
UNSPSC Code:
12352100
PubChem Substance ID:
24862691
NACRES:
NA.22

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.)

SMILES string

FC(F)(F)c1cc(I)cc(c1)C(F)(F)F

InChI

1S/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H

InChI key

VDPIZIZDKPFXLI-UHFFFAOYSA-N

General description

1-Iodo-3,5-bis(trifluoromethyl)benzene is a halogenated hydrocarbon.

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-).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
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

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