methylgold; triphenylphosphane

• ChemBase ID: 134568
• Molecular Formular: C19H18AuP
• Molecular Mass: 474.286531
• Monoisotopic Mass: 474.08118021
• SMILES: C[Au].c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Au]C
• InChI: InChI=1S/C18H15P.CH3.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H3
• InChIKey: GTYPEKWTQNTEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylgold; triphenylphosphane
• IUPAC Traditional name: methylgold; triphenylphosphine
• Synonyms: Methyl(triphenylphosphine)gold(I); 甲基(三苯基膦)金(I)

Database IDs

• CAS Number: 23108-72-7
• MDL Number: MFCD07369042
• PubChem SID: 162228844
• PubChem CID: 10310892

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

Physical Property

• Melting Point: 158 °C (dec.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 98%
• Linear Formula: (C6H5)3P · AuCH3

DETAILS

Sigma Aldrich - 711314

Packaging
500 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′