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35238-97-2 molecular structure
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λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene dichloromethane hexafluoro-λ5-phosphanuide bis(triphenylphosphane)

ChemBase ID: 149275
Molecular Formular: C45H44Cl2F6P3Rh
Molecular Mass: 965.5540622
Monoisotopic Mass: 964.09921498
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C1CC=CCCC=C1.C(Cl)Cl.F[P-](F)(F)(F)(F)F.[Rh+]
Canonical SMILES:
C1CC=CCCC=C1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.ClCCl.[Rh+]
InChI:
InChI=1S/2C18H15P.C8H12.CH2Cl2.F6P.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;2-1-3;1-7(2,3,4,5)6;/h2*1-15H;1-2,7-8H,3-6H2;1H2;;/q;;;;-1;+1/b;;2-1-,8-7-;;;
InChIKey:
FCVRPQBVWYQXFH-ISVFTUMHSA-N

Cite this record

CBID:149275 http://www.chembase.cn/molecule-149275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene dichloromethane hexafluoro-λ5-phosphanuide bis(triphenylphosphane)
IUPAC Traditional name
λ1-rhodium(1+) ion 1,5-cyclooctadiene methylene chloride bis(triphenylphosphine) hexafluorophosphate
Synonyms
NSC 179445
(1,5-Cyclooctadiene)bis(triphenylphosphine)rhodium(I) hexafluorophosphate dichloromethane complex (1:1)
(1,5-环辛二烯)二(三苯基膦)六氟磷酸铑二氯甲烷络合物(1:1)
CAS Number
35238-97-2
MDL Number
MFCD02091684
PubChem SID
162243443
24862254
PubChem CID
71311399

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
361755 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311399 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 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
215 °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
Empirical Formula (Hill Notation)
C45H44Cl2F6P3Rh expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 361755 external link
Packaging
500 mg in glass bottle
Application
Catalyst for:
• Polycyclotrimerization reactions1
• Hydrosilylation and hydrogenation reactions2
• Hydroformylation reactions3
• Regioselective di- and trisilylation reactions4
• Mannich and nitro-Mannich reactions5
• Reductive alkylation reactions6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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