Home > Compound List > Compound details
32761-50-5 molecular structure
click picture or here to close

λ1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ5-phosphanuide

ChemBase ID: 150331
Molecular Formular: C31H41F6P4Rh
Molecular Mass: 754.4482032
Monoisotopic Mass: 754.11179615
SMILES and InChIs

SMILES:
CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.C1C2C=CC1C=C2.F[P-](F)(F)(F)(F)F.[Rh+]
Canonical SMILES:
C1=CC2CC1C=C2.F[P-](F)(F)(F)(F)F.CP(c1ccccc1)C.CP(c1ccccc1)C.CP(c1ccccc1)C.[Rh+]
InChI:
InChI=1S/3C8H11P.C7H8.F6P.Rh/c3*1-9(2)8-6-4-3-5-7-8;1-2-7-4-3-6(1)5-7;1-7(2,3,4,5)6;/h3*3-7H,1-2H3;1-4,6-7H,5H2;;/q;;;;-1;+1
InChIKey:
KSBHDOZWEREXLG-UHFFFAOYSA-N

Cite this record

CBID:150331 http://www.chembase.cn/molecule-150331.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ5-phosphanuide
IUPAC Traditional name
λ1-rhodium(1+) ion tris(dimethylphenylphosphine) norbornadiene hexafluorophosphate
Synonyms
[(2,3-η)-Bicyclo[2.2.1]hepta-2,5-diene]tris(dimethylphenylphosphine)rhodium(I) hexafluorophosphate
[Tris(dimethylphenylphosphine)](2,5-norbornadiene)rhodium(I) hexafluorophosphate
[三(二甲基苯基膦)](2,5-降冰片二烯)六氟磷酸铑(I)
CAS Number
32761-50-5
MDL Number
MFCD02091681
PubChem SID
24860485
162244492
PubChem CID
16212149

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
337501 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212149 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.194198  LogD (pH = 7.4) 2.3848538 
Log P 2.3882  Molar Refractivity 41.7725 cm3
Polarizability 16.763628 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
158-161 °C(lit.) expand Show data source
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
26-37/39 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
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C31H41F6P4Rh expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 337501 external link
Packaging
100 mg in glass bottle
Application
Catalyst for aminomethylation1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle