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52359-17-8 molecular structure
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bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide

ChemBase ID: 303836
Molecular Formular: C28H46P2Pd
Molecular Mass: 551.032362
Monoisotopic Mass: 550.21096073
SMILES and InChIs

SMILES:
CC(C)(C)[P+](c1ccccc1)(C(C)(C)C)[Pd-2][P+](C(C)(C)C)(c1ccccc1)C(C)(C)C
Canonical SMILES:
CC([P+](C(C)(C)C)(c1ccccc1)[Pd-2][P+](C(C)(C)C)(C(C)(C)C)c1ccccc1)(C)C
InChI:
InChI=1S/2C14H23P.Pd/c2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;/h2*7-11H,1-6H3;
InChIKey:
KJTQUBRAVOMHKY-UHFFFAOYSA-N

Cite this record

CBID:303836 http://www.chembase.cn/molecule-303836.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide
IUPAC Traditional name
bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide
Synonyms
Bis(di-tert-butyl-phenylphosphine)palladium(0)
双(二叔丁基苯基磷)钯(0)
CAS Number
52359-17-8
MDL Number
MFCD15071400

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 45853 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.8216  LogD (pH = 7.4) 6.8216 
Log P 6.8216  Molar Refractivity 139.3578 cm3
Polarizability 59.767735 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Storage Warning
Air Sensitive 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
Pd 19.3% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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