chlorogold; tris[4-(trifluoromethyl)phenyl]phosphane

• ChemBase ID: 135481
• Molecular Formular: C21H12AuClF9P
• Molecular Mass: 698.6989198
• Monoisotopic Mass: 697.98871167
• SMILES: c1cc(ccc1C(F)(F)F)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.Cl[Au]
• Canonical SMILES: FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F.[Au]Cl
• InChI: InChI=1S/C21H12F9P.Au.ClH/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30;;/h1-12H;;1H/q;+1;/p-1
• InChIKey: UNHMCLFZEQKHCQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; tris[4-(trifluoromethyl)phenyl]phosphane
• IUPAC Traditional name: gold chloride; tris[4-(trifluoromethyl)phenyl]phosphane
• Synonyms: [Tris(para-trifluoromethylphenyl)phosphine]gold(I) chloride; Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I); [三(对三氟甲基苯基)膦]氯化金(I); 氯[三(对三氟甲基苯基)膦]金(I)

Database IDs

• CAS Number: 385815-83-8
• MDL Number: MFCD08705285
• PubChem SID: 24884720; 162229755
• PubChem CID: 11433970

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.755
• LogD (pH = 7.4): 7.755
• Log P: 7.755
• Molar Refractivity: 99.544 cm^3
• Polarizability: 35.810246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C21H12AuClF9P

DETAILS

Sigma Aldrich - 665177

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