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22884-31-7 molecular structure
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triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide

ChemBase ID: 301878
Molecular Formular: C41H40Br2P2
Molecular Mass: 754.511822
Monoisotopic Mass: 752.09719854
SMILES and InChIs

SMILES:
c1ccc(cc1)[P+](CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Canonical SMILES:
C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChI:
InChI=1S/C41H40P2.2BrH/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)34-20-7-21-35-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41;;/h1-6,8-19,22-33H,7,20-21,34-35H2;2*1H/q+2;;/p-2
InChIKey:
XIZMFZWZYVQIOX-UHFFFAOYSA-L

Cite this record

CBID:301878 http://www.chembase.cn/molecule-301878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide
IUPAC Traditional name
triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide
Synonyms
1,5-Bis(triphenylphosphonio)pentane dibromide
Pentamethylenebis(triphenylphosphonium bromide)
五亚甲基双(三苯基溴化膦)
CAS Number
22884-31-7
EC Number
245-292-2
MDL Number
MFCD00051887
Beilstein Number
3875042

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.105948  LogD (pH = 7.4) 10.105948 
Log P 10.105948  Molar Refractivity 186.5844 cm3
Polarizability 73.662025 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
253-260°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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