chlorogold; tris(propan-2-yl)phosphane

• ChemBase ID: 143502
• Molecular Formular: C9H21AuClP
• Molecular Mass: 392.656351
• Monoisotopic Mass: 392.07350798
• SMILES: CC(C)P(C(C)C)C(C)C.Cl[Au]
• Canonical SMILES: CC(P(C(C)C)C(C)C)C.[Au]Cl
• InChI: InChI=1S/C9H21P.Au.ClH/c1-7(2)10(8(3)4)9(5)6;;/h7-9H,1-6H3;;1H/q;+1;/p-1
• InChIKey: WDOKHBDXZVCPML-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; tris(propan-2-yl)phosphane
• IUPAC Traditional name: gold chloride; triisopropylphosphane
• Synonyms: Chloro[tris(1-methylethyl)phosphine]gold; Chloro(triisopropylphosphine)gold

Database IDs

• CAS Number: 33659-45-9
• MDL Number: MFCD18252678
• PubChem SID: 162237721
• PubChem CID: 15814668

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.854321
• LogD (pH = 7.4): 1.8662157
• Log P: 2.6816
• Molar Refractivity: 54.4548 cm^3
• Polarizability: 20.05056 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-191 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H21AuClP

DETAILS

Sigma Aldrich - 734101

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′