chlorogold; tri-tert-butylphosphane

• ChemBase ID: 141599
• Molecular Formular: C12H27AuClP
• Molecular Mass: 434.736091
• Monoisotopic Mass: 434.12045817
• SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.Cl[Au]
• Canonical SMILES: CC(P(C(C)(C)C)C(C)(C)C)(C)C.[Au]Cl
• InChI: InChI=1S/C12H27P.Au.ClH/c1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-9H3;;1H/q;+1;/p-1
• InChIKey: JLXSZGSXDDQSJF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; tri-tert-butylphosphane
• IUPAC Traditional name: gold chloride; tri-tert-butylphosphane
• Synonyms: (Tri-tert-butylphosphine)chlorogold; (tBu3P)AuCl; (Tri-tert-butylphosphine)gold(I) chloride; Chloro(tri-tert-butylphosphine)gold(I); (三叔丁基膦)氯化金(I); 氯代三叔丁基磷化金(I)

Database IDs

• CAS Number: 69550-28-3
• MDL Number: MFCD09753040
• PubChem SID: 162235833
• PubChem CID: 11958185

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3845654
• LogD (pH = 7.4): 2.3847759
• Log P: 2.5937
• Molar Refractivity: 68.517 cm^3
• Polarizability: 25.590317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Linear Formula: (C4H9)3PAuCl

DETAILS

Sigma Aldrich - 682705

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
• Useful catalyst in a variety of C-C bond forming reactions, including cyclopropanation.1