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15529-49-4 molecular structure
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dichlororuthenium; tris(triphenylphosphane)

ChemBase ID: 146788
Molecular Formular: C54H45Cl2P3Ru
Molecular Mass: 958.832383
Monoisotopic Mass: 958.11546569
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
InChI:
InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
InChIKey:
WIWBLJMBLGWSIN-UHFFFAOYSA-L

Cite this record

CBID:146788 http://www.chembase.cn/molecule-146788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichlororuthenium; tris(triphenylphosphane)
IUPAC Traditional name
dichlororuthenium; tris(triphenylphosphine)
Synonyms
Tris(triphenylphosphine)dichlororuthenium
Dichlorotris(triphenylphosphine)ruthenium(II)
Ruthenium(II)-tris(triphenylphosphine) dichloride
Tris(triphenylphosphine)ruthenium(II) dichloride
三(三苯基膦)氯化钌(II)
三苯基膦氯化钌
三(三苯基膦)二氯化钌(II)
CAS Number
15529-49-4
EC Number
239-569-7
MDL Number
MFCD00013077
Beilstein Number
4935939
PubChem SID
162240980
24853394
PubChem CID
11007548

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
223662 external link Add to cart Please log in.
Data Source Data ID
PubChem 11007548 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)
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
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
[(C6H5)3P]3RuCl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 223662 external link
Application

• Catalyst employed in a synthesis of furans from allenyl sulfides.1
• C-H Activation Catalyst in a Ruthenium/Lewis Acid System2
Packaging
1, 5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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