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31126-95-1 molecular structure
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bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)

ChemBase ID: 147707
Molecular Formular: C8F12O8Rh2
Molecular Mass: 657.8726384
Monoisotopic Mass: 657.7511636
SMILES and InChIs

SMILES:
C(=O)(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F
Canonical SMILES:
O=C(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F.O=C(C(F)(F)F)O[Rh]OC(=O)C(F)(F)F
InChI:
InChI=1S/4C2HF3O2.2Rh/c4*3-2(4,5)1(6)7;;/h4*(H,6,7);;/q;;;;2*+2/p-4
InChIKey:
PQEXTYUESSEHKW-UHFFFAOYSA-J

Cite this record

CBID:147707 http://www.chembase.cn/molecule-147707.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)
IUPAC Traditional name
bis([(trifluoroacetyl)oxy]rhodio 2,2,2-trifluoroacetate)
Synonyms
Trifluoroacetic acid rhodium(II) salt dimer
Rhodium(II) trifluoroacetate dimer
三氟乙酸铑(II)盐二聚体
三氟乙酸铑(II)二聚体
CAS Number
31126-95-1
MDL Number
MFCD00209611
PubChem SID
162241892
24864793
PubChem CID
10985187

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
399191 external link Add to cart Please log in.
Data Source Data ID
PubChem 10985187 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1092  LogD (pH = 7.4) 2.1092 
Log P 2.1092  Molar Refractivity 25.4526 cm3
Polarizability 15.104206 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
[(CF3COO)2Rh]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 399191 external link
Other Notes
Contains a trace amount of rhodium acetate
Packaging
1 g in glass bottle
50, 250 mg in glass bottle
Application
Used in the preparation of isomerically pure α,β-unsaturated carbonyl compounds1 and the preparation of building blocks for one-, two-, and three-dimensional molecular solids.2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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