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171441

Sigma-Aldrich

Trifluoroiodomethane

99%

Synonym(s):

Iodotrifluoromethane, Perfluoromethyl iodide, Trifluoromethyl iodide

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About This Item

Empirical Formula (Hill Notation):
CF3I
CAS Number:
2314-97-8
Molecular Weight:
195.91
Beilstein:
1732740
EC Number:
219-014-5
MDL number:
MFCD00001060
UNSPSC Code:
12142100
PubChem Substance ID:
24850061
NACRES:
NA.22

Quality Level

100

Assay

99%

bp

−22.5 °C (lit.)

mp

<−78 °C (lit.)

functional group

fluoro
iodo

SMILES string

FC(F)(F)I

InChI

1S/CF3I/c2-1(3,4)5

InChI key

VPAYJEUHKVESSD-UHFFFAOYSA-N

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Application

Reagent used in the rhodium-catalyzed α-trifluoromethylation of α,ß-unsaturated ketones.

Packaging

Supplied in a Sure/Pac™ cylinder and has a brass needle valve with a male 1/4" NPTF outlet thread installed. Before using the cylinder, ensure that the valve is closed, then remove the galvanized steel hex cap that seals the outlet valve.

Compatible with the following:

Legal Information

Aldrich is a registered trademark of Sigma-Aldrich Co. LLC
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC

also commonly purchased with this product

Product No.
Description
Pricing

hose barb

Product No.
Description
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Z146811

Hose adapter, brass

recommended

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Description
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regulator

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Description
Pricing

Signal Word

Warning

Hazard Statements

H280,H341,H420

Hazard Classifications

Muta. 2 - Ozone 1 - Press. Gas Compr. Gas

Storage Class Code

2A - Gases

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBJ8355
BCBR8746V
SHBC3558V
SHBB7146V
34296KK

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D E Dodd et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 35(1), 64-77 (1997-01-01)
Trifluoroiodomethane (CF3I) is being considered as a replacement compound for halon fire suppressants. Its structure is similar to that of Halon 1301 (CF3Br), but it has very low ozone depletion potential compared to CF3Br. As part of the process of
Kelvin Anggara et al.
Science advances, 4(10), eaau2821-eaau2821 (2018-10-13)
Collision geometry is central to reaction dynamics. An important variable in collision geometry is the miss-distance between molecules, known as the "impact parameter." This is averaged in gas-phase molecular beam studies. By aligning molecules on a surface prior to electron-induced
Discovering and verifying elusive fullerene cage isomers: structures of C2-p11-(C74-D3h)(CF3)12 and C2-p11-(C(78)-D3h5)(CF3)12.
Natalia B Shustova et al.
Angewandte Chemie (International ed. in English), 46(22), 4111-4114 (2007-04-25)
A Vinegar et al.
American Industrial Hygiene Association journal, 60(3), 403-408 (1999-07-01)
Of the agents under consideration for protecting unoccupied areas from fire, CF3I (trifluoroiodomethane) has physicochemical properties that give it potential as a "drop-in" replacement for halon 1301. One of the issues concerning the use of CF3I is the potential hazard
Natalia B Shustova et al.
Journal of the American Chemical Society, 128(49), 15793-15798 (2006-12-07)
Reaction of a mixture of insoluble higher fullerenes with CF3I at 500 degrees C produced a single abundant isomer of C74(CF3)12, C76(CF3)12, and C80(CF3)12, two abundant isomers of C78(CF3)12 and C82(CF3)12, and an indeterminant number of isomers of C84(CF3)12. Using
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Articles

Tetrakis(dimethylamino)ethylene (TDAE)

In 2001, Professor William Dolbier, Jr., at the University of Florida reported1 an approach to nucleophilic trifluoromethylation based on the generation of a trifluoromethyl anion using CF3I in the presence of a powerful twoelectron reductant, tetrakis(dimethylamino)ethylene (TDAE)

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