Home > Compound List > Compound details
258864-54-9 molecular structure
click picture or here to close

trihexyl(tetradecyl)phosphanium chloride

ChemBase ID: 141869
Molecular Formular: C32H68ClP
Molecular Mass: 519.309081
Monoisotopic Mass: 518.47471649
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
Canonical SMILES:
CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
InChI:
InChI=1S/C32H68P.ClH/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;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKey:
JCQGIZYNVAZYOH-UHFFFAOYSA-M

Cite this record

CBID:141869 http://www.chembase.cn/molecule-141869.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trihexyl(tetradecyl)phosphanium chloride
IUPAC Traditional name
trihexyl(tetradecyl)phosphanium chloride
Synonyms
Trihexyltetradecylphosphonium chloride
Tetradecyltrihexylphosphonium chloride
三己基十四烷基氯化膦
十四烷基三己基氯化膦
CAS Number
258864-54-9
MDL Number
MFCD04112746
PubChem SID
162236102
24889260
PubChem CID
11375816

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
89744 external link Add to cart Please log in.
Data Source Data ID
PubChem 11375816 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
118 °C expand Show data source
244.4 °F expand Show data source
Density
0.895 g/mL at 20 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1760 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
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1760 8/PG 2 expand Show data source
Purity
≥95.0% (NMR) expand Show data source
Linear Formula
[CH3(CH2)5]3P(Cl)(CH2)13CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 89744 external link
Packaging
5, 50 g in poly bottle

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