1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate

HCID 16211673CAS 22206-57-1

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Grundinformationen

Standard-SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
InChIKey: UQCWXKSHRQJGPH-UHFFFAOYSA-M
Summenformel: C16H38FNO
Durchschnittliche Molmasse: 279,48 g/mol

Namen und Bezeichner

Bevorzugter Name: 1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate
IUPAC: tetrabutylazanium;fluoride;hydrate
Englischer Name: Tetrabutylammonium fluoride
Summenformel: C16H36FN
Molmasse: 261.46

Namen und Synonyme

1-Butanaminium, N,N,N-tributyl-, fluoride, hydrateRefChem:430817Tetrabutylammonium fluoride hydrate22206-57-1Tetrabutylammonium fluoride xhydrate153005-55-1tetrabutylammoniumfluorid hydrattetrabutylazanium;fluoride;hydrateMFCD00149980C16H38FNO1-Butanaminium,N,N,N-tributyl-, fluoride, hydrate (1:1:?)tetra-n-butylammonium fluoride hydrate

Weitere Namen anzeigen

TETRA-N-BUTYLAMMONIUM FLUORIDEuoride trihydrate'FLUORIDE' ON SILICA GELTETRABUTYLAMMONIUM FLUOROIDE HYDRATETetrabutylammoniumfluoridehydrate,98%Tetrabutyl Ammonium Fluoridde HydrateTETRABUTYLAMMONIUM FLUORIDE ON ALUMINATetrabutylaMMoniuM fluoride hydrate 98%

TBAF hydratenBu4NF hydrateN,N,N-Tributyl-1-butanaminium Fluoride Hydrate; Tetra-n-butylammonium Fluoride Hydrate; TBAF Hydrate;TBAF H2OSCHEMBL136460tetrabutylammoniumfluoride hydrateTetrabutylammoniumfluoridexhydratetetrabutylazanium hydrate fluoride

Datenbank-Bezeichner

CAS: 22206-57-1、87749-50-6
PubChem CID: 16211673
EC Number: 684-182-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 12
Schwere Atome: 19
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-63 °C(lit.)
Dichte: 0.953 g/mL · 0.953 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.456
Flammpunkt: 1 °F · 1 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: crystal
Farbe: white
Merck: 14 · 14,9187
BRN: 3570522 · 3570522
Stabilität: hygroscopic
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: O.[F-].CCCC[N+](CCCC)(CCCC)CCCC
CAS Datenbank: 22206 · 22206-57-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.6%): 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (97.6%)

Sicherheitsdaten

F: 3
wgk: 3
tsca: No
ridadr: UN 2924 3/PG 2
hs_code: 29239000
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenReactant for preparation of:Double clathrate hydrates at high pressuresCellulose ethersTerminal olefins via dehydrohalogenation reactionsNeutral and zwitterionic 3-carboranyl thymidine analogues for boron neutron capture therapy