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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

Quality Level

100

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

366706-5G:4548173993683
366706-VAR:
366706-1G:
366706-25G:
366706-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW4819
MKCV7277
MKCW5444
MKCS7787
MKCP1390

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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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