Organofluorine / Alfa Chemistry
Tetrabutylammonium Bifluoride

Tetrabutylammonium Bifluoride

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Tetrabutylammonium Bifluoride
Catalog OFC23868340
CAS 23868-34-0
Category Nucleophilic Fluorination Agents
Synonyms Tetrabutylammonium Hydrogen Difluoride
Purity >95.0%(T)
MDL Number MFCD00077877
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Other Identifiers Chemical Data Computational Chemistry Health Safety
IUPAC Name tetrabutylazanium;fluoride;hydrofluoride
InChI InChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChI Key ZHBDKVWQJKYIFF-UHFFFAOYSA-M
Isomeric SMILES CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
EC Number 629-504-4
Reaxys Registry Number 4729304
Molecular Formula C16H37F2N
Molecular Weight 281.48
Appearance Colorless to red to green clear liquid
Storage Store under inert gas
Stability Hygroscopic
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 12
Exact Mass 281.28940651 g/mol
Monoisotopic Mass 281.28940651 g/mol
Topological Polar Surface Area 0Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 116
HS Number 2923.90.0100

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