chlorogold; dimethyl(phenyl)phosphane

• ChemBase ID: 142605
• Molecular Formular: C8H11AuClP
• Molecular Mass: 370.566251
• Monoisotopic Mass: 369.99525766
• SMILES: CP(C)c1ccccc1.Cl[Au]
• Canonical SMILES: CP(c1ccccc1)C.[Au]Cl
• InChI: InChI=1S/C8H11P.Au.ClH/c1-9(2)8-6-4-3-5-7-8;;/h3-7H,1-2H3;;1H/q;+1;/p-1
• InChIKey: JUNOUWMLMVXRDI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; dimethyl(phenyl)phosphane
• IUPAC Traditional name: dimethylphenylphosphine; gold chloride
• Synonyms: (Dimethylphenylphosphine)gold chloride; Chloro(dimethylphenylphosphine)gold; (二甲基苯基膦)氯化金

Database IDs

• CAS Number: 28978-09-8
• MDL Number: MFCD15144763
• PubChem SID: 162236831
• PubChem CID: 15773190

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.194198
• LogD (pH = 7.4): 2.3848538
• Log P: 2.3882
• Molar Refractivity: 41.7725 cm^3
• Polarizability: 16.763628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98-102 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• 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: 97%
• Empirical Formula (Hill Notation): C8H11AuClP

DETAILS

Sigma Aldrich - 704881

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