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55102-19-7 molecular structure
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chlororuthenium; tris(triphenylphosphane)

ChemBase ID: 138691
Molecular Formular: C54H45ClP3Ru
Molecular Mass: 923.379383
Monoisotopic Mass: 923.14661301
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ru]Cl
InChI:
InChI=1S/3C18H15P.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
InChIKey:
GZKMGAXTHYGXEO-UHFFFAOYSA-M

Cite this record

CBID:138691 http://www.chembase.cn/molecule-138691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlororuthenium; tris(triphenylphosphane)
IUPAC Traditional name
chlororuthenium; tris(triphenylphosphine)
Synonyms
Chlorohydridotris(triphenylphosphine)ruthenium(II)
氯代氢三(三苯基膦)钌(II)
CAS Number
55102-19-7
EC Number
259-480-7
MDL Number
MFCD00061354
PubChem SID
162232942
PubChem CID
10855030

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
335010 external link Add to cart Please log in.
Data Source Data ID
PubChem 10855030 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Impurities
5% toluene expand Show data source
Empirical Formula (Hill Notation)
C54H49ClP3Ru expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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