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345857 Sigma-Aldrich

Tetrabutylammonium chloride hydrate

98%

Synonym: TBAC hydrate

  • CAS Number 37451-68-6

  • Linear Formula (CH3CH2CH2CH2)4N(Cl) · xH2O

  • Molecular Weight 277.92

  •  Beilstein/REAXYS Number 3765327

  •  EC Number 214-195-7

  •  MDL number MFCD00149970

  •  PubChem Substance ID 24861355

  •  NACRES NA.22

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Properties

Related Categories Ammonium Salts, Chemical Synthesis, Phase Transfer Catalysts, Synthetic Reagents
Quality Level   200
assay   98%
mp   41-44 °C (lit.)
InChI   1S/C16H36N.ClH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
InChI key   FODWRUPJCKASBN-UHFFFAOYSA-M

Description

Application

Tetrabutylammonium chloride (TBAC) hydrate has been used as a phase transfer catalyst in the synthesis of fullerenols and in Heck-type palladium-catalyzed vinylation of organic halides in water. TBAC hydrate has also been reported to be a promising candidate for cool energy storage material.

Tetrabutylammonium chloride hydrate can be used:
• As an additive in palladium-catalyzed cross-coupling reaction of heteroaromatic carboxylic acids with aryl bromides.
• To enhance the reactivity of palladium-catalyzed arylation of methyl acrylates.
• In derivatization of bis(spirodienone) calixarene having exocyclic double bonds to its chloro derivative.

Packaging

5, 25, 100 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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