Home > Compound List > Compound details
3109-63-5 molecular structure
click picture or here to close

hexafluoro-$l^{5}-phosphanuide; tetrabutylazanium

ChemBase ID: 99154
Molecular Formular: C16H36F6NP
Molecular Mass: 387.4279202
Monoisotopic Mass: 387.24895611
SMILES and InChIs

SMILES:
[N+](CCCC)(CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
InChI:
InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
InChIKey:
BKBKEFQIOUYLBC-UHFFFAOYSA-N

Cite this record

CBID:99154 http://www.chembase.cn/molecule-99154.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoro-$l^{5}-phosphanuide; tetrabutylazanium
hexafluoro-λ5-phosphanuide; tetrabutylazanium
IUPAC Traditional name
hexafluoro-$l^{5}-phosphanuide; tetrabutylammonium ion
tetrabutylammonium hexafluorophosphate
Synonyms
Tetrabutylammonium hexafluorophosphate 98%
Tetrabutylammonium hexafluorophosphate
Tetra-n-butylammonium hexafluorophosphate
四丁基六氟磷酸铵
四正丁基六氟磷酸铵
CAS Number
3109-63-5
EC Number
221-472-6
MDL Number
MFCD00011748
Beilstein Number
4056584
PubChem SID
162085446
24856963
24888801
24888797
PubChem CID
165075

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)
Solubility
acetonitrile: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
244-246 °C(lit.) expand Show data source
244-246°C expand Show data source
244-248°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant/Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) 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
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (CHN) expand Show data source
≥99.0% expand Show data source
≥99.0% (CHN) expand Show data source
98% expand Show data source
Grade
for electrochemical analysis expand Show data source
purum expand Show data source
Impurities
≤0.3% halogenides (as Br) expand Show data source
≤1% water expand Show data source
Linear Formula
(CH3CH2CH2CH2)4N(PF6) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 281026 external link
Packaging
5, 25, 100 g in poly bottle
Sigma Aldrich - 86879 external link
General description
Visit our Sensor Applications portal to learn more.
Other Notes
Supporting electrolyte soluble in organic solvents which is very stable1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle