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87749-50-6 molecular structure
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tetrabutylazanium trihydrate fluoride

ChemBase ID: 9902
Molecular Formular: C16H42FNO3
Molecular Mass: 315.5079832
Monoisotopic Mass: 315.31487243
SMILES and InChIs

SMILES:
[N+](CCCC)(CCCC)(CCCC)CCCC.[F-].O.O.O
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
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

Cite this record

CBID:9902 http://www.chembase.cn/molecule-9902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrabutylazanium trihydrate fluoride
IUPAC Traditional name
tetrabutylammonium trihydrate fluoride
tetrabutylammonium ion trihydrate fluoride
Synonyms
Tetra-n-butylammonium fluoride trihydrate
Tetrakis(but-1-yl)ammonium fluoride trihydrate 97%
Tetrabutylammonium fluoride trihydrate
TBAF
Tetrabutylammonium fluoride trihydrate
四丁基氟化铵 三水合物
CAS Number
87749-50-6
EC Number
207-057-2
MDL Number
MFCD00149981
Beilstein Number
3761900
PubChem SID
24888776
160973209
24888796
PubChem CID
11726816

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3234289  LogD (pH = 7.4) 1.3234289 
Log P 1.3234289  Molar Refractivity 91.3961 cm3
Polarizability 31.734425 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-63°C expand Show data source
62-63 °C(lit.) expand Show data source
62-63°C expand Show data source
Storage Warning
Corrosive/Hygroscopic/Store under Argon expand Show data source
IRRITANT, IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1759 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
true expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1759 8/PG 3 expand Show data source
Purity
≥90% (T) expand Show data source
≥97.0% (NT) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Linear Formula
[CH3(CH2)3]4NF · 3H2O expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC6633T external link
Technical bulletin available
Sigma Aldrich - 86872 external link
Other Notes
Reagent for the cleavage of silyl ethers and other silyl protecting groups4; Catalyst for various reactions with silicon compounds5,6; Use as a base in organic synthesis7; Instability of anhydrous TBAF 8
Packaging
10, 50, 250 g in poly bottle
Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3
Sigma Aldrich - 86843 external link
Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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