Tetrabutylammonium Fluoride Trihydrate (HCID 11726816)

Names & identifiers

Preferred name: Tetrabutylammonium Fluoride Trihydrate
IUPAC: tetrabutylazanium;fluoride;trihydrate
English name: Tetrabutylammonium fluoride trihydrate
Molecular formula: C16H38FNO
Molecular weight: 279.48

Names & synonyms

Tetrabutylammonium fluoride trihydratetetra-n-butylammonium fluoride trihydrate1-Butanaminium, N,N,N-tributyl-, fluoride, trihydrateDTXSID60471191RefChem:896756DTXCID60422007618-063-387749-50-6Tetra(but-1-yl)ammonium fluoride trihydratetetrabutylazanium;fluoride;trihydrateMFCD00149981tetra-n-butylammonium fluoride hydrate

Show more names

TBAF 3H2OTETRABUTYLAMMONIUM FLUORIDE HYDRATETBAF TRIHYDRATETETRA-N-BUTYLAMMONIUM FLUORIDE 3 H2OTBAF HydrateTETRABUTYLAMMONIUMFLUORID-3-HYDRATTetra(but-1-uoride hydrate

Tetrabutylazanium Fluoride TrihydrateTetrabutylammoniumfluoridetrihydratetetrabutylazanium trihydrate fluoridenBu4NF.3H2On-Bu4NF.3H2OBu4NF.3H2OAA4Y45K2UBSCHEMBL209886

Database identifiers

CAS: 87749-50-6
PubChem CID: 11726816
DTXSID: DTXSID60471191
UNII: AA4Y45K2UB
EC Number: 618-063-3

Properties

Computed structural properties

Topological polar surface area: 3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 21
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 62 · 62-63 °C(lit.)
Flash point: -17 ℃ · -17℃
storage temp.: 30 °C · Store below +30°C.
form: Crystalline Powder, Crystals and/or Chunks
Specific Gravity: 0.887 · 0.887
color: White to slightly yellow
PH: pH (50g/l, 25℃) : 5.0～8.0
Water Solubility: SOLUBLE
Sensitive: Hygroscopic
BRN: 3761900 · 3761900
Exposure limits: 2.5 mg/m3NIOSH: · ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
InChI: InChI=1S/C16H36N.FH.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
InChIKey: UQCWXKSHRQJGPH-UHFFFAOYSA-M
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[F-].O
CAS DataBase Reference: 87749 · 87749-50-6(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H412
Precautionary statements: 264 · P264-P270-P273-P301+P312-P302+P352-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-26 37/39
RIDADR: 1759 · UN 1759 8/PG 1
WGK Germany: 3 · 3
F: 3 · 3-10
Hazard Note: Irritant
TSCA: T
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 38220000 · 38220000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Repr. 2Skin Irrit. 2
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (94.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTetra-N-butylammonium fluoride trihydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (94.5%)

Safety data

F: 3-10
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: T
ridadr: UN 1759 8/PG 1
hs_code: 38220000
risk_code: 34-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-26 37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H302-H315-H319-H412
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Repr. 2Skin Irrit. 2
Precautionary statements: P264-P270-P273-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

DescriptionTetrabutylammonium fluoride trihydrate is a commonly used salt within the realms of organic chemistry and biochemistry. This compound is employed as a potent base, finding extensive use in diverse applications, including organic compound synthesis, buffer preparation, and protein purification. It plays a pivotal role in the synthesis of various organic compounds, such as carboxylic acids, amines, and alcohols. Additionally, this compound facilitates the purification of nucleic acids, including DNA and RNA. Acting as a strong base, tetrabutylammonium fluoride trihydrate possesses the ability to deprotonate a wide range of organic compounds. It is commonly used in applications such as preparation of deprotecting agents, synthesis of lipophilic peprides during DNA transfections, and many more.

UsesReactant for:Preparation of deprotecting agents in preparation of cellulose derivativesSynthesis of lipophilic peptides for DNA transfections in vivoDehydrobromination reactions

General DescriptionTetrabutylammonium 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.