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14937-45-2 molecular structure
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tributyl(hexadecyl)phosphanium bromide

ChemBase ID: 92470
Molecular Formular: C28H60BrP
Molecular Mass: 507.653761
Monoisotopic Mass: 506.36160055
SMILES and InChIs

SMILES:
[P+](CCCC)(CCCC)(CCCCCCCCCCCCCCCC)CCCC.[Br-]
Canonical SMILES:
CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChI:
InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKey:
RYVBINGWVJJDPU-UHFFFAOYSA-M

Cite this record

CBID:92470 http://www.chembase.cn/molecule-92470.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(hexadecyl)phosphanium bromide
IUPAC Traditional name
tributyl(hexadecyl)phosphanium bromide
Synonyms
Tributylhexadecylphosphonium bromide
TBHDPB
Tributylhexadecylphosphonium bromide 98%
Hexadecyltributylphosphonium bromide
Tributylhexadecylphosphonium bromide
CETYLTRIBUTYLPHOSPHONIUM BROMIDE
Tributyl(hexadecyl)phosphonium bromide
Cetyltri-n-butyl phosphonium bromide
Tri-n-butylhexadecylphosphonium bromide
(n-Hexadecyl)tri-n-butylphosphonium bromide
十六烷基三丁基溴化膦
三丁基十六烷基溴化膦
(正十六烷基)三正丁溴化基膦
CAS Number
14937-45-2
EC Number
239-014-9
MDL Number
MFCD00011775
Beilstein Number
4167404
PubChem SID
162079168
24856693
PubChem CID
84716

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.907003  LogD (pH = 7.4) 10.907003 
Log P 10.907003  Molar Refractivity 138.2996 cm3
Polarizability 55.51205 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 24  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
methanol: soluble0.1 g/mL, clear expand Show data source
Melting Point
56-58 °C(lit.) expand Show data source
56-58°C expand Show data source
57-60°C expand Show data source
57-62 °C expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant expand Show data source
European Hazard Symbols
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
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
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95.0% (AT) expand Show data source
95+% expand Show data source
97% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)15P+[(CH2)3CH3]3Br- expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150593 external link
Phase transfer catalyst.
Sigma Aldrich - 276200 external link
Packaging
5, 25, 100 g in glass bottle
Sigma Aldrich - 52353 external link
Application
Phase-transfer-catalyst

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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