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: 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

NAMES AND DATABASE IDS

Names

• 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)

Database IDs

• CAS Number: 866641-66-9
• MDL Number: MFCD11045449
• PubChem SID: 162235286
• PubChem CID: 16689288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.645715
• LogD (pH = 7.4): 4.922454
• Log P: 5.0952
• Molar Refractivity: 94.8151 cm^3
• Polarizability: 38.924267 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 198-203 °C (D)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• RID/ADR: UN 3077 9/PG 3

Product Information

• Empirical Formula (Hill Notation): C22H30AuF6NPSb

DETAILS

Sigma Aldrich - 697575

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′