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402-31-3 - 1,3-Bis(trifluoromethyl)benzene, 98+% - alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xylene - A11360 - Alfa Aesar

A11360 1,3-Bis(trifluoromethyl)benzene, 98+%

CAS Number
402-31-3
Synonyms
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xylene

Size Price ($) Quantity Availability
50g 40.17
250g 135.96
1000g 331.20
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1,3-Bis(trifluoromethyl)benzene, 98+%

MDL
MFCD00000392
EINECS
206-939-4

Chemical Properties

Formula
C8H4F6
Formula Weight
214.11
Melting point
-35°
Boiling Point
115-117°
Flash Point
26°(78°F)
Density
1.378
Refractive Index
1.3790
Solubility
Insoluble in water. Soluble in alcohol, ether, benzene.

Applications

1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.

Notes

Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Literature References

Aeberli P,; Houlihan WJ. The Metalation of 1, 3-Bis (trifluoromethyl) benzene by n butyllithium.. J. Organomet. Chem. 1974, 64 (3), 321-25.

Berthold Hoge Dr.,; Boris Kurscheid,; Sebastian Peuker,; Wieland Tyrra,; Hendrik T. M. Fischer. A Convenient, Selective Synthesis of Bis[2,4-bis(trifluoromethyl)phenyl]phosphane Derivatives Starting from 1,3-Bis(trifluoromethyl)benzene† . Zeitschrift für anorganische und allgemeine Chemie. 2007, 633 (10) ,679-1685 pg no.

Metallation with n-BuLi in diethyl ether is unselective, giving, on quenching with CO2, a mixture of 2,4- and 2,6-bis(trifluoromethyl)benzoic acids: J. Organomet. Chem., 67, 321 (1974). The superbasic n-BuLi/KO-t-Bu combination leads to almost exclusive 2-metallation, allowing the 2,6-bis(trifluoromethyl) acid to be isolated in 78% yield. In contrast, a combination of sec-BuLi and N,N,N',N',N'-pentamethyldiethylenetriamine leads to the 2,4-bis(trifluoromethyl) acid as the main product: Synlett, 747 (1990).

GHS Hazard and Precautionary Statements

Hazard Statements: H226-H315-H319-H335

Flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.

Precautionary Statements: P210-P260-P280g-P305+P351+P338

Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Do not breathe dust/fume/gas/mist/vapours/spray. Wear protective gloves. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Other References

Beilstein
2052589
Hazard Class
3
Packing Group
III
Harmonized Tariff Code
2903.99
TSCA
Yes

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