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TETRABUTYLAMMONIUM CHLORIDE, HYDRATE98%

Catalog Number
ACM37451686-2
Product Name
TETRABUTYLAMMONIUM CHLORIDE, HYDRATE98%
Structure
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CAS
37451-68-6
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Synonyms
ST24031871; 1-Butanaminium, N,N,N-tributyl-, chloride, monohydrate; n-Bu4NCl.H₂O; 37451-68-6; FODWRUPJCKASBN-UHFFFAOYSA-M; tetrabuty-lammonium chloride hydrate; AX8153234; Tetrabutylammonium chloride hydrate, 96%; TetrabutylammoniumchlorideH₂O; SC-15196;
IUPAC Name
tetrabutylazanium;chloride;hydrate;
Molecular Weight
295.936g/mol
Molecular Formula
C16H38ClNO;
Canonical SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O.[Cl-];
InChI
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;
Complexity
116
Covalently-Bonded Unit Count
3
Exact Mass
295.264g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
19
Monoisotopic Mass
295.264g/mol
Rotatable Bond Count
12
Topological Polar Surface Area
1A^2
Application
Tetrabutylammonium chloride, hydrate 98%, serves as a crucial component in chemical synthesis, primarily facilitating greener deoxychlorination when used alongside phosphorus pentoxide. Additionally, it acts as a phase transfer catalyst in the synthesis of 2-(3-pyridyl)-1-methylpyrrole, aiding the reaction between 3-bromopyridine and 1-methyl-2-pyrrolecarboxylic acid.
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