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25360-32-1 molecular structure
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methanidylidyneoxidanium tris(triphenylphosphane) λ2-ruthenium

ChemBase ID: 150303
Molecular Formular: C55H45OP3Ru
Molecular Mass: 915.936483
Monoisotopic Mass: 916.17267495
SMILES and InChIs

SMILES:
[C-]#[O+].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ru]
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O+]#[C-].[Ru]
InChI:
InChI=1S/3C18H15P.CO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;
InChIKey:
DVUMGLXLEQSMPH-UHFFFAOYSA-N

Cite this record

CBID:150303 http://www.chembase.cn/molecule-150303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanidylidyneoxidanium tris(triphenylphosphane) λ2-ruthenium
IUPAC Traditional name
carbon monoxide tris(triphenylphosphine) λ2-ruthenium
Synonyms
Dihydridocarbonyltris(triphenylphosphine)ruthenium
Carbonyldihydridotris(triphenylphosphine)ruthenium(II)
羰酰二氢三(三苯基膦)钌(II)
CAS Number
25360-32-1
PubChem SID
24860277
162244464
PubChem CID
10170051

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
335002 external link Add to cart Please log in.
Data Source Data ID
PubChem 10170051 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
161-163 °C(lit.) 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
20/21/22 expand Show data source
Safety Statements
36 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
Linear Formula
[(C6H5)3P]3Ru(CO)H2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 335002 external link
Packaging
1 g in glass bottle
Application

• Catalyst for conversion of 1,4-alkynediols into pyrroles1
• Catalyst for oxidation of primary alcohols to methyl esters2
• Catalyst for rearrangement of oximes to amides3
• Catalyst for C-C coupling via directed C-H activation4,5
• Catalyst for enyne cyclization6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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