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14284-93-6 molecular structure
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4-({bis[(4-oxopent-2-en-2-yl)oxy]ruthenio}oxy)pent-3-en-2-one

ChemBase ID: 150955
Molecular Formular: C15H21O6Ru
Molecular Mass: 398.39364
Monoisotopic Mass: 399.03816239
SMILES and InChIs

SMILES:
C/C(=C/C(=O)C)/O[Ru](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
Canonical SMILES:
C/C(=C/C(=O)C)/O[Ru](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
InChI:
InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
InChIKey:
RTZYCRSRNSTRGC-UHFFFAOYSA-K

Cite this record

CBID:150955 http://www.chembase.cn/molecule-150955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({bis[(4-oxopent-2-en-2-yl)oxy]ruthenio}oxy)pent-3-en-2-one
IUPAC Traditional name
4-({bis[(4-oxopent-2-en-2-yl)oxy]ruthenio}oxy)pent-3-en-2-one
Synonyms
Ru(acac)3
2,4-Pentanedione ruthenium(III) derivative
Ruthenium(III) acetylacetonate
2,4-戊二酮 钌(III) 衍生物
乙酰丙酮钌(III)
CAS Number
14284-93-6
EC Number
238-193-0
MDL Number
MFCD00000030
PubChem SID
24857067
162245114
PubChem CID
71311493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71311493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.943684  H Acceptors
H Donor LogD (pH = 5.5) 1.0569 
LogD (pH = 7.4) 1.0569  Log P 1.0569 
Molar Refractivity 82.2747 cm3 Polarizability 34.775505 Å3
Polar Surface Area 78.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
260 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (CH) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
Ru(C5H7O2)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 282766 external link
Application
Catalyzes the hydrogenation of dimethyl oxalate to ethylene glycol under mild conditions.1
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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