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Merck
CN

807982

Sigma-Aldrich

PERFECTA

Synonym(s):

1,3-Bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]-2,2-bis[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]methyl] propane

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About This Item

Empirical Formula (Hill Notation):
C21H8F36O4
CAS Number:
951260-68-7
Molecular Weight:
1008.23
UNSPSC Code:
12352101
PubChem Substance ID:
329769049
NACRES:
NA.22

Key Documents

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Assay

95%

form

powder or granules

mp

63-68 °C

storage temp.

2-8°C

SMILES string

FC(F)(F)C(C(F)(F)F)(C(F)(F)F)OCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

1S/C21H8F36O4/c22-10(23,24)6(11(25,26)27,12(28,29)30)58-1-5(2-59-7(13(31,32)33,14(34,35)36)15(37,38)39,3-60-8(16(40,41)42,17(43,44)45)18(46,47)48)4-61-9(19(49,50)51,20(52,53)54)21(55,56)57/h1-4H2

InChI key

LYOKOJQBUZRTMX-UHFFFAOYSA-N

General description

PERFECTA (from suPERFluorinatEdContrasT Agent) is a novel superfluorinated molecular probe for 19F-magnetic resonance imaging. It can be prepared by reacting pentaerythritol and perfluoro-t-butanol under Mitsunobu reaction conditions.

Application

PERFECTA can be emulsified in water for use in nuclear magnetic resonance imaging wherein the improvement derives from its 36 magnetically similar fluorine atoms providing a superior signal to noise ratio with resultant enhanced diagnostic resolution.

Other Notes

A Superfluorinated Molecular Probe for Highly Sensitive in Vivo 19F-MRI

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H315,H318,H335

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Ilaria Tirotta et al.
Journal of the American Chemical Society, 136(24), 8524-8527 (2014-06-03)
(19)F-MRI offers unique opportunities to image diseases and track cells and therapeutic agents in vivo. Herein we report a superfluorinated molecular probe, herein called PERFECTA, possessing excellent cellular compatibility, and whose spectral properties, relaxation times, and sensitivity are promising for

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