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866641-66-9 molecular structure
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gold(1+) ion acetonitrile di-tert-butyl(2-phenylphenyl)phosphane hexafluorostibanuide

ChemBase ID: 141050
Molecular Formular: C22H30AuF6NPSb
Molecular Mass: 772.1710302
Monoisotopic Mass: 771.07238892
SMILES and InChIs

SMILES:
CC#N.CC(C)(C)P(c1ccccc1c1ccccc1)C(C)(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
Canonical SMILES:
F[Sb-](F)(F)(F)(F)F.CC(P(C(C)(C)C)c1ccccc1c1ccccc1)(C)C.CC#N.[Au+]
InChI:
InChI=1S/C20H27P.C2H3N.Au.6FH.Sb/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2-3;;;;;;;;/h7-15H,1-6H3;1H3;;6*1H;/q;;+1;;;;;;;+5/p-6
InChIKey:
ADQOZROJMVWPRI-UHFFFAOYSA-H

Cite this record

CBID:141050 http://www.chembase.cn/molecule-141050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
gold(1+) ion acetonitrile di-tert-butyl(2-phenylphenyl)phosphane hexafluorostibanuide
IUPAC Traditional name
gold(1+) ion acetonitrile di-tert-butyl(2-phenylphenyl)phosphane hexafluorostibanuide
Synonyms
JohnPhos Au(MeCN)SbF6
(Acetonitrile)[(2-biphenyl)di-tert-butylphosphine]gold(I) hexafluoroantimonate
(乙腈)[(2-联苯)二叔丁基膦]六氟锑酸金(I)
CAS Number
866641-66-9
MDL Number
MFCD11045449
PubChem SID
162235286
PubChem CID
16689288

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
697575 external link Add to cart Please log in.
Data Source Data ID
PubChem 16689288 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.645715  LogD (pH = 7.4) 4.922454 
Log P 5.0952  Molar Refractivity 94.8151 cm3
Polarizability 38.924267 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
198-203 °C (D) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 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
3 expand Show data source
Risk Statements
20/22-51/53 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H332-H411 expand Show data source
GHS Precautionary statements
P273 expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Empirical Formula (Hill Notation)
C22H30AuF6NPSb expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 697575 external link
Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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