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109241-90-9 molecular structure
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hexafluoro-λ5-phosphanuide; tetrahexylazanium

ChemBase ID: 152151
Molecular Formular: C24H52F6NP
Molecular Mass: 499.6405602
Monoisotopic Mass: 499.37415662
SMILES and InChIs

SMILES:
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.F[P-](F)(F)(F)(F)F
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
InChI:
InChI=1S/C24H52N.F6P/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-7(2,3,4,5)6/h5-24H2,1-4H3;/q+1;-1
InChIKey:
KWQQUBRLECVPFD-UHFFFAOYSA-N

Cite this record

CBID:152151 http://www.chembase.cn/molecule-152151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoro-λ5-phosphanuide; tetrahexylazanium
IUPAC Traditional name
tetrahexylazanium hexafluorophosphate
Synonyms
Tetrahexylammonium hexafluorophosphate
四己基六氟磷酸铵
CAS Number
109241-90-9
MDL Number
MFCD00674550
PubChem SID
162246296
24888884
PubChem CID
16218646

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
87308 external link Add to cart Please log in.
Data Source Data ID
PubChem 16218646 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.879978  LogD (pH = 7.4) 4.879978 
Log P 4.879978  Molar Refractivity 128.2041 cm3
Polarizability 46.510445 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 20  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
135-138 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (gravimetric) expand Show data source
Impurities
≤0.05% halides (as bromide) expand Show data source
Linear Formula
[CH3(CH2)4CH2]4N(PF6) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87308 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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