pyridine; trichlorogold

• ChemBase ID: 135599
• Molecular Formular: C5H5AuCl3N
• Molecular Mass: 382.42545
• Monoisotopic Mass: 380.91532521
• SMILES: c1ccncc1.Cl[Au](Cl)Cl
• Canonical SMILES: c1cccnc1.Cl[Au](Cl)Cl
• InChI: InChI=1S/C5H5N.Au.3ClH/c1-2-4-6-5-3-1;;;;/h1-5H;;3*1H/q;+3;;;/p-3
• InChIKey: TYJJOEBQRJABJG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine; trichlorogold
• IUPAC Traditional name: gold trichloride; pyridine
• Synonyms: (Pyridine)gold trichloride; Trichloro(pyridine)gold(III); (吡啶)三氯化金; 三氯(吡啶)金(III)

Database IDs

• CAS Number: 14911-01-4
• MDL Number: MFCD00064726
• PubChem SID: 24885401; 162229873
• PubChem CID: 6102110

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232-240 °C

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H5AuCl3N

DETAILS

Sigma Aldrich - 677876

Application
Gold Catalysts - 21st Century ′Gold Rush′
• An N-stabilized gold(III) catalyst employed in a synthesis of tetrahydroisoquinolines.1
Packaging
1 g in glass bottle
250 mg in glass bottle