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96165-44-5 molecular structure
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dichloropalladium; dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane

ChemBase ID: 143650
Molecular Formular: C26H48Cl2P2Pd
Molecular Mass: 599.932842
Monoisotopic Mass: 598.16431616
SMILES and InChIs

SMILES:
C1CCC(CC1)P(CCP(C1CCCCC1)C1CCCCC1)C1CCCCC1.Cl[Pd]Cl
Canonical SMILES:
C1CCC(CC1)P(C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1.Cl[Pd]Cl
InChI:
InChI=1S/C26H48P2.2ClH.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h23-26H,1-22H2;2*1H;/q;;;+2/p-2
InChIKey:
OMLAGPLARSIWKU-UHFFFAOYSA-L

Cite this record

CBID:143650 http://www.chembase.cn/molecule-143650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloropalladium; dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
IUPAC Traditional name
dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane; palladium chloride
Synonyms
(DCPE)palladium(II) chloride
Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)
[1,2-Bis(dicyclohexylphosphino)ethane]palladium(II) chloride
CAS Number
96165-44-5
MDL Number
MFCD17677355
PubChem SID
162237867
PubChem CID
6097104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
724025 external link Add to cart Please log in.
Data Source Data ID
PubChem 6097104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 6.000719  Log P 6.918 
Molar Refractivity 136.2026 cm3 Polarizability 51.17676 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 5.9894795 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38-40-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Purity
≥95.0% expand Show data source
Empirical Formula (Hill Notation)
C26H48Cl2P2Pd expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 724025 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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