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22180-53-6 molecular structure
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dibromopalladium; bis(triphenylphosphane)

ChemBase ID: 151885
Molecular Formular: C36H30Br2P2Pd
Molecular Mass: 790.798922
Monoisotopic Mass: 787.92243422
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]Br
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]Br
InChI:
InChI=1S/2C18H15P.2BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey:
MCSDDEAMPOYJJI-UHFFFAOYSA-L

Cite this record

CBID:151885 http://www.chembase.cn/molecule-151885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibromopalladium; bis(triphenylphosphane)
IUPAC Traditional name
dibromopalladium; bis(triphenylphosphine)
Synonyms
trans-Dibromobis(triphenylphosphine)palladium(II)
反式双(三苯基膦)二氯溴钯(II)
CAS Number
22180-53-6
MDL Number
MFCD00134175
PubChem SID
162246031
24862152
PubChem CID
11104744

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
360163 external link Add to cart Please log in.
Data Source Data ID
PubChem 11104744 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
95% expand Show data source
Linear Formula
[(C6H5)3P]2PdBr2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 360163 external link
Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Equilibrium palladation of alkanes and arenes and functionalization of hydrocarbons1Reactant for:
• Homocoupling reactions induced by P-C reductive elimination2
• Preparation of palladium imidazolylidene complexes via Suzuki coupling reactions3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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