chlorogold; triphenylphosphane

• ChemBase ID: 90204
• Molecular Formular: C18H15AuClP
• Molecular Mass: 494.705011
• Monoisotopic Mass: 494.02655779
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Au]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Au]Cl
• InChI: InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
• InChIKey: IFPWCRBNZXUWGC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; triphenylphosphane
• IUPAC Traditional name: gold chloride; triphenylphosphine
• Synonyms: Chloro(triphenylphosphine)gold(I); (Ph3P)AuCl; Triphenylphosphinegold(I) chloride; Chloro(triphenylphosphine)gold(I); 三苯基膦氯化金(I); 氯化三苯基磷金(I)

Database IDs

• CAS Number: 14243-64-2
• EC Number: 238-117-6
• MDL Number: MFCD00009588
• PubChem SID: 24855348; 162077042
• PubChem CID: 10874691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Nitrogen
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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: ≥99.9% trace metals basis
• Linear Formula: [(C6H5)3P]AuCl

DETAILS

Sigma Aldrich - 254037

Packaging
5 g in poly bottle
500 mg in poly bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′