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23743-26-2 molecular structure
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dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane

ChemBase ID: 141957
Molecular Formular: C26H48P2
Molecular Mass: 422.606842
Monoisotopic Mass: 422.3231248
SMILES and InChIs

SMILES:
C1CCC(CC1)P(CCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)P(C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C26H48P2/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
InChIKey:
BOUYBUIVMHNXQB-UHFFFAOYSA-N

Cite this record

CBID:141957 http://www.chembase.cn/molecule-141957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
IUPAC Traditional name
dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
Synonyms
1,2-Ethanediylbis[dicyclohexyl]phosphine
Ethylenebis(dicyclohexylphosphine)
1,2-Bis(dicyclohexylphosphino)ethane
1,2-双(二环己基磷基)乙烷
1,2-双(二环己基膦基)乙烷
CAS Number
23743-26-2
MDL Number
MFCD00015521
PubChem SID
24871622
162236189
PubChem CID
534202

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 534202 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.9894795  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 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline, Packaged under argon expand Show data source
Melting Point
92.5-96.5 °C(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Ligand For
Decarboxylations expand Show data source
Negishi Coupling expand Show data source
Suzuki-Miyaura Coupling expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
UN1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210-P241-P280-P240-P370+P378A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
(C6H11)2PCH2CH2PC6H11)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 479500 external link
Packaging
1, 5 g in glass bottle
Application
Reactant involved in:
• Investigations of the role of ligand-based steric effects during the polymerization1
• Synthesis of molybdenum nitrosyl complexes for use as Imine hydrogenation catalysts2
• Irreversible thermal linkage isomerization of switchable C-N-bound isomers3
• Chelating for conversion of trans complexes to cis complexes4 Precursor for Iridium trisboryl complexes and the substituent effect on borylation reactions5Ligand for palladium(II) complex catalyzed hydrogenation reactions6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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