chlorogold; tris(pentafluorophenyl)phosphane

• ChemBase ID: 143351
• Molecular Formular: C18AuClF15P
• Molecular Mass: 764.561959
• Monoisotopic Mass: 763.88523061
• SMILES: c1(c(c(c(c(c1F)F)P(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F)F)F.Cl[Au]
• Canonical SMILES: Fc1c(P(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F.[Au]Cl
• InChI: InChI=1S/C18F15P.Au.ClH/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33;;/h;;1H/q;+1;/p-1
• InChIKey: NPDADBDFEWCWRT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; tris(pentafluorophenyl)phosphane
• IUPAC Traditional name: gold chloride; tris(pentafluorophenyl)phosphane
• Synonyms: Chloro[tris(2,3,4,5,6-pentafluorophenyl)phoshine]gold(I)

Database IDs

• CAS Number: 37095-26-4
• MDL Number: MFCD18252667
• PubChem SID: 162237571
• PubChem CID: 11520592

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1991
• LogD (pH = 7.4): 7.1991
• Log P: 7.1991
• Molar Refractivity: 84.8689 cm^3
• Polarizability: 30.1972 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 222-226 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Empirical Formula (Hill Notation): C18AuClF15P

DETAILS

Sigma Aldrich - 734128

Packaging
1 g in glass bottle
250 mg in glass bottle