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131083-49-3 molecular structure
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(acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphanium

ChemBase ID: 138325
Molecular Formular: C26H23Cl2O4PRu
Molecular Mass: 602.408181
Monoisotopic Mass: 601.97545021
SMILES and InChIs

SMILES:
CC(=O)O[Ru-](=O)(=O)(Cl)Cl.c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)O[Ru-](=O)(=O)(Cl)Cl
InChI:
InChI=1S/C24H20P.C2H4O2.2ClH.2O.Ru/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2(3)4;;;;;/h1-20H;1H3,(H,3,4);2*1H;;;/q+1;;;;;;+2/p-3
InChIKey:
JLAOFAGYFHZYIW-UHFFFAOYSA-K

Cite this record

CBID:138325 http://www.chembase.cn/molecule-138325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphanium
IUPAC Traditional name
(acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphonium
Synonyms
Tetraphenylphosphonium acetatodichlorodioxoruthenate(VI)
四苯基膦乙酸二氯二氧钌(VI)酸盐
CAS Number
131083-49-3
MDL Number
MFCD00075562
PubChem SID
162232581
PubChem CID
71310132

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
371262 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310132 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.0781937  LogD (pH = 7.4) 6.0781937 
Log P 6.0781937  Molar Refractivity 107.0972 cm3
Polarizability 42.196945 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)
Melting Point
213 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1479 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
8-36/37/38 expand Show data source
Safety Statements
17-26-36/37/39 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H315-H319-H335 expand Show data source
GHS Precautionary statements
P220-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), 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 1479 5.1/PG 2 expand Show data source
Linear Formula
(C6H5)4P(CH3CO2RuO2Cl2) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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