Tetrabutylammonium chloride hydrate
ALDRICH/345857 - 98%
Synonym: TBAC hydrate
CAS Number: 37451-68-6
Empirical Formula (Hill Notation): C16H36ClN
Molecular Weight: 277.92
EC Number: 214-195-7
MDL Number: MFCD00149970
Linear Formula: (CH3CH2CH2CH2)4N(Cl) · xH2O
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 345857-100G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 345857-25G
| assay | 98% |
| form | solid |
| InChI | 1S/C16H36N.ClH.H2O/c1-5-9 |
| InChI key | FODWRUPJCKASBN-UHFFFAOYSA |
| mp | 41-44 °C (lit.) |
| Quality Level | 200  |
| SMILES string | [Cl-].[N+](CCCC)(CCCC)(CC |
| 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. |
| Application: | 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 |
| Hazard Codes | Xi |
| Risk Statements | 36/38 |
| Safety Statements | 26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | 41-44 °C (lit.) |
| UNSPSC | 12352116 |