Tetrabutylammonium Fluoride Trihydrate

HCID 11726816CAS 87749-50-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
InChIKey: VEPTXBCIDSFGBF-UHFFFAOYSA-M
Summenformel: C16H42FNO3
Durchschnittliche Molmasse: 315,51 g/mol
Monoisotopische Masse: 315,31487242

Namen und Bezeichner

Bevorzugter Name: Tetrabutylammonium Fluoride Trihydrate
IUPAC: tetrabutylazanium;fluoride;trihydrate
Englischer Name: Tetrabutylammonium fluoride trihydrate
Summenformel: C16H38FNO
Molmasse: 279.48

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 12
Schwere Atome: 21
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-63 °C(lit.)
Flammpunkt: -17 ℃ · -17℃
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
Wichte: 0.887 · 0.887
Farbe: White to slightly yellow
PH: pH (50g/l, 25℃) : 5.0～8.0
Wasserlöslichkeit: SOLUBLE
BRN: 3761900 · 3761900
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 Datenbank: 87749 · 87749-50-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

F: 3-10
wgk: 3
tsca: T
ridadr: UN 1759 8/PG 1
hs_code: 38220000
risk_code: 34-36/37/38
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-26 37/39
hazard_class: 6.1
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Repr. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungTetrabutylammonium 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.

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