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15133-82-1 molecular structure
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tetrakis(triphenylphosphane) nickel

ChemBase ID: 147514
Molecular Formular: C72H60NiP4
Molecular Mass: 1107.835244
Monoisotopic Mass: 1106.29989134
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni]
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni]
InChI:
InChI=1S/4C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;
InChIKey:
KFBKRCXOTTUAFS-UHFFFAOYSA-N

Cite this record

CBID:147514 http://www.chembase.cn/molecule-147514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrakis(triphenylphosphane) nickel
IUPAC Traditional name
tetrakis(triphenylphosphine) nickel
Synonyms
Ni(PPh3)4
Nickel-tetrakis(triphenylphosphine)
Tetrakis(triphenylphosphine)nickel(0)
四(三苯基膦)镍
四(三苯基膦)镍(0)
CAS Number
15133-82-1
MDL Number
MFCD00010011
PubChem SID
24854724
162241702
PubChem CID
11979963

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11979963 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 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
123-128°C expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1325 expand Show data source
UN1325 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-40-43 expand Show data source
49-11-43-48/23 expand Show data source
Safety Statements
36/37 expand Show data source
53-16-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 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
H228-H317-H351 expand Show data source
H350-H372-H228-H317 expand Show data source
GHS Precautionary statements
P210-P201-P309-P310 expand Show data source
P210-P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.5% (C) expand Show data source
Grade
purum expand Show data source
Compostion
Ni, 4-7% (approx.) expand Show data source
Linear Formula
[(C6H5)3P]4Ni expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 244996 external link
Application
Catalyst for coupling reactions of organic halides, organometallic Compounds and also for the cyclooligomerization of cumulenes;.
Packaging
1, 5 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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