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374683-44-0 molecular structure
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hexafluoro-λ5-phosphanuide; trihexyl(tetradecyl)phosphanium

ChemBase ID: 134598
Molecular Formular: C32H68F6P2
Molecular Mass: 628.8202612
Monoisotopic Mass: 628.47004476
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.F[P-](F)(F)(F)(F)F
Canonical SMILES:
F[P-](F)(F)(F)(F)F.CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
InChI:
InChI=1S/C32H68P.F6P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-7(2,3,4,5)6/h5-32H2,1-4H3;/q+1;-1
InChIKey:
WCKLETBLOAOZDE-UHFFFAOYSA-N

Cite this record

CBID:134598 http://www.chembase.cn/molecule-134598.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoro-λ5-phosphanuide; trihexyl(tetradecyl)phosphanium
IUPAC Traditional name
trihexyl(tetradecyl)phosphanium hexafluorophosphate
Synonyms
Tetradecyltrihexylphosphonium hexafluorophosphate
Trihexyltetradecylphosphonium hexafluorophosphate
十四烷基三己基膦六氟磷酸盐
三己十四烷化膦六氟磷酸盐酯
CAS Number
374683-44-0
MDL Number
MFCD04117700
PubChem SID
162228874
24865327
PubChem CID
16212610

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
40573 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212610 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 12.685278  LogD (pH = 7.4) 12.685278 
Log P 12.685278  Molar Refractivity 156.7036 cm3
Polarizability 62.90004 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 28  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 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 3261 8/PG 2 expand Show data source
Purity
≥95.0% (31P-NMR) expand Show data source
Linear Formula
[CH3(CH2)5]3P(PF6)(CH2)13CH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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