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12257-42-0 molecular structure
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bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)

ChemBase ID: 139982
Molecular Formular: C14H16Cl2Rh2
Molecular Mass: 460.99384
Monoisotopic Mass: 459.87391387
SMILES and InChIs

SMILES:
C1[C@H]2C=C[C@@H]1C=C2.C1[C@H]2C=C[C@@H]1C=C2.Cl[Rh].Cl[Rh]
Canonical SMILES:
C1=C[C@@H]2C[C@H]1C=C2.C1=C[C@@H]2C[C@H]1C=C2.[Rh]Cl.[Rh]Cl
InChI:
InChI=1S/2C7H8.2ClH.2Rh/c2*1-2-7-4-3-6(1)5-7;;;;/h2*1-4,6-7H,5H2;2*1H;;/q;;;;2*+1/p-2/t2*6-,7+;;;;
InChIKey:
RXDWVIOULPVOEO-SEGRDSFWSA-L

Cite this record

CBID:139982 http://www.chembase.cn/molecule-139982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)
IUPAC Traditional name
bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)
Synonyms
[Rh(nbd)Cl]2
dichlorobis(norbornadiene)dirhodium
2,5-Norbornadiene-rhodium(I) chloride dimer
Chloro(2,5-norbornadiene)rhodium(I) dimer
Rhodium(I) chloride 2,5-Norbornadiene complex dimer
Bicyclo[2.2.1]hepta-2,5-diene-rhodium(I) chloride dimer
Chloro(norbornadiene)rhodium(I) dimer
Di-mu-chlorobis(norbornadiene)dirhodium(I)
二氯化二铑(双降冰片二烯)
氯化降冰片二烯铑二聚物
降冰片二烯氯化铑二聚体
氯降冰片二烯铑二聚体
二氯化二铑(双降冰片二烯) 铑 44% 最低
CAS Number
12257-42-0
EC Number
235-510-4
MDL Number
MFCD00198060
PubChem SID
24855024

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6093123  LogD (pH = 7.4) 1.6093123 
Log P 1.6093123  Molar Refractivity 32.5332 cm3
Polarizability 11.724419 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
96% expand Show data source
Rh 44% min expand Show data source
Empirical Formula (Hill Notation)
C14H16Cl2Rh2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 249939 external link
Packaging
500 mg in glass bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisHydrosilylation Catalysts
Sigma Aldrich - 683167 external link
Application
Catalyst for valence isomerization and N-heterocyclization; incombination with phosphorus ligands are catalysts for hydrogenationof many functional groups and hydroformylation; withchiral ligands are catalysts for asymmetric hydrogenation
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisHydrosilylation Catalysts
Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
A product of Umicore.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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