chlorogold; methanidylidyneoxidanium

• ChemBase ID: 142538
• Molecular Formular: CAuClO
• Molecular Mass: 260.42965
• Monoisotopic Mass: 259.9303353
• SMILES: [C-]#[O+].Cl[Au]
• Canonical SMILES: [C-]#[O+].Cl[Au]
• InChI: InChI=1S/CO.Au.ClH/c1-2;;/h;;1H/q;+1;/p-1
• InChIKey: VBUSSYWEWHQPTL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; methanidylidyneoxidanium
• IUPAC Traditional name: carbon monoxide; gold chloride
• Synonyms: Chlorocarbonylgold(I); 氯羰基金(I)

Database IDs

• CAS Number: 50960-82-2
• MDL Number: MFCD00058864
• PubChem SID: 162236766
• PubChem CID: 12683329

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247-253 °C (dec.)

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
• Storage Temperature: -20°C

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): CAuClO

DETAILS

Sigma Aldrich - 711322

Packaging
1 g in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
Reactant for silylene insertion into gold-chlorine bondsUsed for stabilization and encapsulation inside functionalized zeolite imidazolate frameworksTransition-metal-catalyst for oxidation of carbon monoxide by dichlorine to produce phosgene