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25753-74-6 molecular structure
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fluorocopper; tris(triphenylphosphane)

ChemBase ID: 142980
Molecular Formular: C54H45CuFP3
Molecular Mass: 869.4007862
Monoisotopic Mass: 868.20141205
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.F[Cu]
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu]F
InChI:
InChI=1S/3C18H15P.Cu.FH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;;1H/q;;;+1;/p-1
InChIKey:
OKJARODAQSGFQE-UHFFFAOYSA-M

Cite this record

CBID:142980 http://www.chembase.cn/molecule-142980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
fluorocopper; tris(triphenylphosphane)
IUPAC Traditional name
copper(I) fluoride; tris(triphenylphosphine)
Synonyms
Fluorotris(triphenylphosphine)copper(I)
氟三(三苯基膦)铜(I)
CAS Number
25753-74-6
MDL Number
MFCD12546045
PubChem SID
162237206
PubChem CID
71310837

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
706000 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310837 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
144-157 °C 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 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
Purity
95% (by HMR) expand Show data source
Empirical Formula (Hill Notation)
C54H45CuFP3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 706000 external link
Application
Complex used in asymmetric aldol reaction1
General description
Product may contain up to 9 wt. % ethanol as a complex.
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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