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1287-13-4 molecular structure
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λ2-ruthenium(2+) ion bis(cyclopenta-2,4-dien-1-ide)

ChemBase ID: 129337
Molecular Formular: C10H10Ru
Molecular Mass: 231.2564
Monoisotopic Mass: 231.98259932
SMILES and InChIs

SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ru+2]
Canonical SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ru+2]
InChI:
InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey:
FZHCFNGSGGGXEH-UHFFFAOYSA-N

Cite this record

CBID:129337 http://www.chembase.cn/molecule-129337.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ2-ruthenium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
λ2-ruthenium(2+) ion bis(cyclopentadienide)
Synonyms
ruthenium cyclopentadienyl
cp2Ru
Ruthenocene
Bis(cyclopentadienyl)ruthenium(II)
双(环戊二烯)钌(II)
CAS Number
1287-13-4
EC Number
215-065-2
MDL Number
MFCD00001442
PubChem SID
162223631
24855742
PubChem CID
11986121
25199626
Wikipedia Title
Ruthenocene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
262455 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.226988  H Acceptors
H Donor LogD (pH = 5.5) 1.499 
LogD (pH = 7.4) 1.499  Log P 2.248 
Molar Refractivity 21.715 cm3 Polarizability 8.791516 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water, soluble in most organic solvents expand Show data source
Apperance
pale yellow powder expand Show data source
solid expand Show data source
Melting Point
195-200 °C expand Show data source
199-201 °C(lit.) expand Show data source
Boiling Point
278 °C expand Show data source
Density
1.86 g/cm3 (25 °C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
S26, S28, S37/39, S45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
0
2
0
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% expand Show data source
Empirical Formula (Hill Notation)
C10H10Ru expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 262455 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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