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Molecule
ID:129337
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₁₀H₁₀Ru
Molecular Mass
231.2564
Exact Mass
231.98259932
Charge
0
InChI
InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey
FZHCFNGSGGGXEH-UHFFFAOYSA-N
Canonic Smiles
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ru+2]
Isomeric Smiles
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ru+2]
Calculated Properties
JChem
Acid pKa
16.226988
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.499
LogD (pH = 7.4)
1.499
Log P
2.248
Molar Refractivity
21.715
Polarizability
8.791516
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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IUPAC name
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IUPAC Traditional name
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Molecular Spectra
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Sigma Aldrich
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
262455
Academic Data
Wikipedia
Ruthenocene
PubChem
25199626
Names and Identifiers
Synonyms
cp
2
Ru
Ruthenocene
ruthenium cyclopentadienyl
双(环戊二烯)钌(II)
Bis(cyclopentadienyl)ruthenium(II)
IUPAC name
λ
2
-ruthenium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
λ
2
-ruthenium(2+) ion bis(cyclopentadienide)
Registration numbers
PubChem CID
11986121
25199626
Wikipedia Title
Ruthenocene
CAS Number
1287-13-4
PubChem SID
24855742
162223631
MDL Number
MFCD00001442
EC Number
215-065-2
Molecule Details
Sigma Aldrich
262455
Packaging
1 g in glass bottle
Wikipedia
Ruthenocene
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem CID
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Wikipedia Title
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CAS Number
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PubChem SID
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MDL Number
•
EC Number
Properties
Safety Information
NFPA704
0
2
0
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
R
36/37/38
Source
36/37/38
Source
Safety Statements
S26
,
S28
,
S37/39
,
S45
Source
26
-
37/39
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
MSDS Link
Download link
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Physical Property
Apperance
pale yellow powder
Source
solid
Source
Melting Point
195-200 °C
Source
199-201 °C(lit.)
Source
Boiling Point
278 °C
Source
Density
1.86 g/cm
3
(25 °C)
Source
Insoluble in water, soluble in most organic solvents
Source
Product Information
Empirical Formula (Hill Notation)
C10H10Ru
Source
Purity
97%
Source
Solubility
Irritant (Xi)