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130296-28-5 molecular structure
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λ1-rhodium(1+) ion bis(cycloocta-1,5-diene) hexafluorostibanuide

ChemBase ID: 142560
Molecular Formular: C16H24F6RhSb
Molecular Mass: 555.0176792
Monoisotopic Mass: 553.98753909
SMILES and InChIs

SMILES:
C1C=CCCC=CC1.C1C=CCCC=CC1.F[Sb-](F)(F)(F)(F)F.[Rh+]
Canonical SMILES:
C1CC=CCCC=C1.C1CC=CCCC=C1.F[Sb-](F)(F)(F)(F)F.[Rh+]
InChI:
InChI=1S/2C8H12.6FH.Rh.Sb/c2*1-2-4-6-8-7-5-3-1;;;;;;;;/h2*1-2,7-8H,3-6H2;6*1H;;/q;;;;;;;;+1;+5/p-6
InChIKey:
BROZUPPJWNODCU-UHFFFAOYSA-H

Cite this record

CBID:142560 http://www.chembase.cn/molecule-142560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ1-rhodium(1+) ion bis(cycloocta-1,5-diene) hexafluorostibanuide
λ1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) hexafluorostibanuide
IUPAC Traditional name
λ1-rhodium(1+) ion bis(1,5-cyclooctadiene) hexafluorostibanuide
λ1-rhodium(1+) ion bis(1,5-cyclooctadiene, (Z,Z)-) hexafluorostibanuide
Synonyms
Bis(1,5-cyclooctadiene)rhodium(I) hexafluoroantimonate
双(1,5-环辛二烯)铑(I)六氟化锑盐
CAS Number
130296-28-5
MDL Number
MFCD11113031
PubChem SID
162236787
PubChem CID
16688726

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16688726 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.832706  LogD (pH = 7.4) 2.832706 
Log P 2.832706  Molar Refractivity 39.0412 cm3
Polarizability 14.319889 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)
Apperance
Crystalline powder expand Show data source
Melting Point
58-60 °C expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
UN3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/22-51/53 expand Show data source
Safety Statements
61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H302-H332-H411-H401 expand Show data source
GHS Precautionary statements
P261-P273-P304+P340-P301+P312-P312-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C16H24F6RhSb expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 701629 external link
Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• [3+2] Cycloaddition1
• Preparation of diastereomeric chiral phosphorus mon- and bidentate diamidophosphite ligands based on dianydromannitol and their use in asymmetric metallocomplex catalysis2
• C-C bond-forming hydrogenation3,4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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