Home > Compound List > Compound details
96503-27-4 molecular structure
click picture or here to close

dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide

ChemBase ID: 295077
Molecular Formular: C10H15Cl2Ru
Molecular Mass: 307.2021
Monoisotopic Mass: 306.95942984
SMILES and InChIs

SMILES:
CC1=C(C(=C(C)[C-]1C)C)C.[Ru+](Cl)Cl
Canonical SMILES:
C[C-]1C(=C(C(=C1C)C)C)C.Cl[Ru+]Cl
InChI:
InChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2
InChIKey:
CYZFXADFTDEWTL-UHFFFAOYSA-L

Cite this record

CBID:295077 http://www.chembase.cn/molecule-295077.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
IUPAC Traditional name
dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
Synonyms
(RuCl2Cp*)n
Dichloro(pentamethylcyclopentadienyl)ruthenium(III) polymer
CAS Number
96503-27-4
MDL Number
MFCD00070449
PubChem SID
180680608
PubChem CID
0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 46348 external link Add to cart
PubChem 0 external link
Data Source Data ID Price
Alfa Aesar
46348 external link Add to cart Please log in.
Data Source Data ID
PubChem 0 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
45-47°C expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
TSCA Listed
expand Show data source
Purity
Ru 32.9% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle