345857

Tetrabutylammonium chloride hydrate

98%

• Synonym(s): TBAC hydrate
• Linear Formula: (CH₃CH₂CH₂CH₂)₄N(Cl) · xH₂O
• CAS Number: 37451-68-6
• Molecular Weight: 277.92
• Beilstein/REAXYS Number: 3765327
• EC Number: 214-195-7
• MDL number: MFCD00149970
• UNSPSC Code: 12352116
• PubChem Substance ID: 24861355
• NACRES: NA.22

Properties

• assay: 98%
• form: solid
• 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.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves