chlorogold; tricyclohexylphosphane

• ChemBase ID: 143267
• Molecular Formular: C18H33AuClP
• Molecular Mass: 512.847931
• Monoisotopic Mass: 512.16740837
• SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cl[Au]
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.[Au]Cl
• InChI: InChI=1S/C18H33P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h16-18H,1-15H2;;1H/q;+1;/p-1
• InChIKey: IBNPRSSHBVYHPU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; tricyclohexylphosphane
• IUPAC Traditional name: gold chloride; tricyclohexylphosphine
• Synonyms: (Tricyclohexylphosphine)gold(I) chloride; Chloro(tricyclohexylphosphine)gold(I); (三环己基膦)氯化金(I); 氯(三环己基膦)化金(I)

Database IDs

• CAS Number: 49763-41-9
• MDL Number: MFCD16621435
• PubChem SID: 162237488
• PubChem CID: 15393961

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 34.44912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 218-222 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 24/25-26-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H33AuClP

DETAILS

Sigma Aldrich - 715050

Packaging
250 mg in glass bottle
Application
Catalyst for:
• Formal tandem bicyclizations of styrylindoles with alkynyl alkenones1
• Addition of X-H bonds to carbon-carbon multiple bonds2
• Arylation of pyrazine or pyridine with aryl bromides3
• Hydroarylation of alkenes with indoles4
• Cyclization5
• Hydroamination6