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207802-45-7 molecular structure
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tris(1,10-phenanthroline) dichlororuthenium hydrate

ChemBase ID: 149837
Molecular Formular: C36H26Cl2N6ORu
Molecular Mass: 730.60724
Monoisotopic Mass: 730.05886384
SMILES and InChIs

SMILES:
c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.O.Cl[Ru]Cl
Canonical SMILES:
c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.Cl[Ru]Cl.O
InChI:
InChI=1S/3C12H8N2.2ClH.H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h3*1-8H;2*1H;1H2;/q;;;;;;+2/p-2
InChIKey:
WGNGRGQLNAWTJI-UHFFFAOYSA-L

Cite this record

CBID:149837 http://www.chembase.cn/molecule-149837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(1,10-phenanthroline) dichlororuthenium hydrate
IUPAC Traditional name
dichlororuthenium tris(phen) hydrate
Synonyms
Tris(1,10-phenanthroline)ruthenium(II) chloride hydrate
Dichlorotris(1,10-phenanthroline)ruthenium(II) hydrate
三(1,10-邻二氮杂菲)氯化钌(II) 水合物
二氯三(1,10-菲罗啉)钌(II) 水合物
CAS Number
207802-45-7
MDL Number
MFCD00799695
PubChem SID
24861192
162243999
PubChem CID
71311432

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
343714 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311432 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2141137  LogD (pH = 7.4) 2.287525 
Log P 2.2885551  Molar Refractivity 53.9006 cm3
Polarizability 23.776546 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C36H24Cl2N6Ru · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 343714 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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