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92390-26-6 molecular structure
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chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide

ChemBase ID: 141444
Molecular Formular: C18H27ClRu
Molecular Mass: 379.92998
Monoisotopic Mass: 380.08447754
SMILES and InChIs

SMILES:
C1C=CCCC=CC1.Cl[Ru+].CC1=C([C-](C(=C1C)C)C)C
Canonical SMILES:
C1CC=CCCC=C1.C[C-]1C(=C(C(=C1C)C)C)C.[Ru+]Cl
InChI:
InChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q-1;;;+2/p-1
InChIKey:
PYZSVABUSHLGGV-UHFFFAOYSA-M

Cite this record

CBID:141444 http://www.chembase.cn/molecule-141444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide
IUPAC Traditional name
1,5-cyclooctadiene; chlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
Synonyms
Pentamethylcyclopentadienyl(1,5-cyclooctadiene)ruthenium(II) chloride
RuCl(cod)Cp*
Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium(II)
1,5-Cyclooctadiene, ruthenium complex
Chloro(1,5-cyclooctadiene)(η5-pentamethylcyclopentadienyl)ruthenium
Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium
Cp*RuCl(cod)
Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)
氯(五甲基环戊二烯基)(环辛二烯)钌(II)
CAS Number
92390-26-6
MDL Number
MFCD07369035
PubChem SID
24884896
162235678
PubChem CID
71310632

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71310632 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.574366  H Acceptors
H Donor LogD (pH = 5.5) 2.7594643 
LogD (pH = 7.4) 2.7594643  Log P 4.3233 
Molar Refractivity 46.921 cm3 Polarizability 17.660542 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)
Apperance
Crystalline solid expand Show data source
Melting Point
143-147 °C expand Show data source
143-147°C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
3395 expand Show data source
UN3395 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
14/15 expand Show data source
15 expand Show data source
Safety Statements
43 expand Show data source
7/8-33-43-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H260 expand Show data source
H261 expand Show data source
GHS Precautionary statements
P231 + P232-P422 expand Show data source
P231+P232-P280-P233-P370+P378-P402+P404-P501 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3395 4.3/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
Ru 26.6% expand Show data source
Empirical Formula (Hill Notation)
C18H27ClRu expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 667234 external link
Application
A homogeneous catalyst for the formation of carbon-carbon and carbon-heteroatom bonds.
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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