chlorogold; triphenyl phosphite

• ChemBase ID: 135749
• Molecular Formular: C18H15AuClO3P
• Molecular Mass: 542.703211
• Monoisotopic Mass: 542.01130165
• SMILES: c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.Cl[Au]
• Canonical SMILES: c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.[Au]Cl
• InChI: InChI=1S/C18H15O3P.Au.ClH/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
• InChIKey: DADNGSZZNVQSMJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; triphenyl phosphite
• IUPAC Traditional name: gold chloride; triphenyl phosphite
• Synonyms: Chloro(triphenylphosphite)gold; 氯(三苯基亚磷酸)金

Database IDs

• MDL Number: MFCD11656075
• PubChem SID: 162230022
• PubChem CID: 21552168

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9509997
• LogD (pH = 7.4): 5.951
• Log P: 5.951
• Molar Refractivity: 87.3095 cm^3
• Polarizability: 34.251812 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 97-102 °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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H15AuClO3P

DETAILS

Sigma Aldrich - 701505

Application
Gold Catalysts - 21st Century ′Gold Rush′
• Hydroarylation of allenes1