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Tetrabutylammonium fluoride trihydrate - ≥98.0%(T), high purity , CAS No.87749-50-6

4 Citations

COA

Grade & Purity:

≥98%(T)

Cas Number: 87749-50-6
Molecular Weight: 315.51
Beilstein Registry Number: 3761900
EC Number: 207-057-2
MDL number: MFCD00149981
PubChem CID: 11726816
PubChem SID: 488197682

In stock

Item Number

T100870

Grouped product items
SKU	Size	Availability	Price
T100870-10g	10g	5	$15.90
T100870-25g	25g	4	$18.90
T100870-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$27.90
T100870-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$38.90
T100870-250g	250g	4	$92.90
T100870-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$145.90

View related series

Ammonium salt (193)

Basic Description

Synonyms	DTXSID40185047 \| Q-201802 \| tetra-n-butyl ammonium fluoride trihydrate \| FT-0642069 \| tetrabutylammoniumfluorid trihydrate \| AM803598 \| MFCD00149981 \| A842360 \| tetra-n-butylammonium fluoride trihydrate \| AKOS015855444 \| BCP24498 \| tetrabutylazanium trihy
Specifications & Purity	≥98%(T)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	product description： Tetrabutylammonium fluoride trihydrate is a mild base used in reactions like aldol-type condensation reactions, Michael-type reactions, ring-opening reactions. Its is also used as a promoter in cross-coupling reactions and cyclization of carbocycles and heterocycles. application： Reactant for: Preparation of deprotecting agents in preparation of cellulose derivatives Synthesis of lipophilic peptides for DNA transfections in vivo Dehydrobromination reactions Tetrabutylammonium fluoride trihydrate can be used as a base: For the dehydrobromination of vinyl bromides to terminal acetylenes. In the conversion of 1,1-dibromo-1-alkenes to terminal alkynes via Corey–Fuchs reaction. In Hiyama cross-coupling reaction of aryl and heteroaryl chlorides with aryltrialkoxysilanes in the presence of a palladium catalyst. It can be used to catalyze ethynylation of quinolines and isoquinolines using calcium carbide in aqueous N,N-dimethylacetamide.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Not available
Direct Parent	Tetraalkylammonium salts
Alternative Parents	Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tetraalkylammonium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488197682
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197682
IUPAC Name	tetrabutylazanium;fluoride;trihydrate
INCHI	InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
InChIKey	VEPTXBCIDSFGBF-UHFFFAOYSA-M
Smiles	CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
Isomeric SMILES	CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
WGK Germany	3
PubChem CID	11726816
UN Number	1759
Molecular Weight	315.51
Beilstein	3761900

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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38 results found

Lot Number	Certificate Type	Date	Item
D2110381	Certificate of Analysis	Jan 10, 2025	T100870
K2425555	Certificate of Analysis	Nov 09, 2024	T100870
K2420614	Certificate of Analysis	Nov 09, 2024	T100870
G2415740	Certificate of Analysis	Jul 05, 2024	T100870
G2415741	Certificate of Analysis	Jul 05, 2024	T100870
C2425514	Certificate of Analysis	Mar 16, 2024	T100870
C2425515	Certificate of Analysis	Mar 16, 2024	T100870
E2526069	Certificate of Analysis	Mar 16, 2024	T100870
C2425501	Certificate of Analysis	Mar 16, 2024	T100870
C2425513	Certificate of Analysis	Mar 16, 2024	T100870
C2425529	Certificate of Analysis	Mar 16, 2024	T100870
C2425528	Certificate of Analysis	Mar 16, 2024	T100870
K2317472	Certificate of Analysis	Sep 06, 2023	T100870
I2313236	Certificate of Analysis	Sep 04, 2023	T100870
I2313234	Certificate of Analysis	Sep 04, 2023	T100870
I2313235	Certificate of Analysis	Sep 04, 2023	T100870
I2313237	Certificate of Analysis	Sep 04, 2023	T100870
C23031393	Certificate of Analysis	Feb 21, 2023	T100870
C23031394	Certificate of Analysis	Feb 21, 2023	T100870
C23031395	Certificate of Analysis	Feb 21, 2023	T100870
C23031396	Certificate of Analysis	Feb 21, 2023	T100870
C23031397	Certificate of Analysis	Feb 21, 2023	T100870
C23031398	Certificate of Analysis	Feb 21, 2023	T100870
C23031402	Certificate of Analysis	Feb 21, 2023	T100870
C23031401	Certificate of Analysis	Feb 21, 2023	T100870
C2304023	Certificate of Analysis	Feb 21, 2023	T100870
C2304005	Certificate of Analysis	Feb 21, 2023	T100870
J2228708	Certificate of Analysis	Aug 13, 2022	T100870
J2228709	Certificate of Analysis	Aug 13, 2022	T100870
J2228729	Certificate of Analysis	Aug 13, 2022	T100870
J2228707	Certificate of Analysis	Aug 13, 2022	T100870
J2228734	Certificate of Analysis	Aug 13, 2022	T100870
B2223496	Certificate of Analysis	Dec 15, 2021	T100870
B2223470	Certificate of Analysis	Dec 15, 2021	T100870
B2223464	Certificate of Analysis	Dec 15, 2021	T100870
B2223523	Certificate of Analysis	Dec 15, 2021	T100870
B2223495	Certificate of Analysis	Dec 15, 2021	T100870
B2223452	Certificate of Analysis	Dec 15, 2021	T100870

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Chemical and Physical Properties

Solubility	Soluble in water, terahydrofuran, dimethyl sulfoxide and acetonitrile.
Sensitivity	Moisture sensitive
Melt Point(°C)	58-60°C
Molecular Weight	315.510 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	315.315 Da
Monoisotopic Mass	315.315 Da
Topological Polar Surface Area	3.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	116.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	5

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