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15274-43-8 molecular structure
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dichloronickel; bis(tributylphosphane)

ChemBase ID: 146700
Molecular Formular: C24H54Cl2NiP2
Molecular Mass: 534.232482
Monoisotopic Mass: 532.24312325
SMILES and InChIs

SMILES:
CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl[Ni]Cl
Canonical SMILES:
CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl[Ni]Cl
InChI:
InChI=1S/2C12H27P.2ClH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey:
KPFOFXWYYUNJOZ-UHFFFAOYSA-L

Cite this record

CBID:146700 http://www.chembase.cn/molecule-146700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloronickel; bis(tributylphosphane)
IUPAC Traditional name
nickel chloride; bis(tributylphosphine)
Synonyms
NSC 54233
Dichlorobis(tributylphosphine)nickel(II)
二氯二(三丁基膦)镍(II)
CAS Number
15274-43-8
MDL Number
MFCD00049260
PubChem SID
162240892
24860021
PubChem CID
6102062

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
332062 external link Add to cart Please log in.
Data Source Data ID
PubChem 6102062 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8171377  LogD (pH = 7.4) 3.8240328 
Log P 4.3595  Molar Refractivity 68.4258 cm3
Polarizability 25.590317 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 18  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
43-45 °C(lit.) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
1759 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
45-20/21/22-34-42/43 expand Show data source
Safety Statements
53-22-26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H314-H317-H332-H334-H350 expand Show data source
GHS Precautionary statements
P201-P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1759 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Linear Formula
{[CH3(CH2)3]3P}2NiCl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 332062 external link
Packaging
5 g in glass bottle
Application
Catalyst for:
• Wenkert arylations1
• Regioselective [2+2+2] cycloadditions2
• Polymerization reactions3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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