chlorogold; methyldiphenylphosphane

• ChemBase ID: 140610
• Molecular Formular: C13H13AuClP
• Molecular Mass: 432.635631
• Monoisotopic Mass: 432.01090773
• SMILES: CP(c1ccccc1)c1ccccc1.Cl[Au]
• Canonical SMILES: CP(c1ccccc1)c1ccccc1.[Au]Cl
• InChI: InChI=1S/C13H13P.Au.ClH/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h2-11H,1H3;;1H/q;+1;/p-1
• InChIKey: CAOYFWWUVVBZOV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; methyldiphenylphosphane
• IUPAC Traditional name: gold chloride; methyldiphenylphosphane
• Synonyms: Chloro(methyldiphenylphosphine)gold(I); 氯(甲基二苯膦)金(I)

Database IDs

• CAS Number: 38686-38-3
• MDL Number: MFCD15144865
• PubChem SID: 162234852
• PubChem CID: 15773189

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7474
• LogD (pH = 7.4): 3.7474
• Log P: 3.7474
• Molar Refractivity: 61.6977 cm^3
• Polarizability: 24.55536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116-118 °C

Safety Information

• 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

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C13H13AuClP

DETAILS

Sigma Aldrich - 717290

Packaging
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
Reactant for synthesis of:
• Bis(alkynethiolate)gold(I) derivatives
• Cinylgold(I) phosphane complexesReactant for:
• Oxidative addition of iodine to gold(I) complexes
• Formation of three coordinate gold(I) complexes